CAS 77-78-1 MFCD00008416-Dimethyl sulfate 硫酸二甲酯 TAO{mole}

Dimethyl sulfate 硫酸二甲酯

CAS 77-78-1 MFCD00008416

化学结构图

SMILES: COS(=O)(=O)OC

化学属性

Mol. Formula	C2H6O4S
Mol. Weight	126.13
Refractive index	1.3850 to 1.3890
Density	1.333
Autoignition Point	923 °F
Vapor Density	4.3 (vs air)
Boiling Point	188
Vapor Pressure	0.7 mmHg ( 25 °C)
Melting Point	-32
Flash Point	123°C(lit.)
Solubility	2.8 G/100 ML (18 ºC)
Danger-Level	乙类
pH	:A

别名和识别编码

Chemical Name	Dimethyl sulfate
Synonym	AKOS BBS-00004221 DIMETHYL SULPHATE DMS (Methyl sulfate) Dimethyl monosulfate Dimethyl sulfate Dimethyl sulphate Dimethylsufat Dimethylsulfat Dimetilsolfato Methyl sulfate Methyl sulfate, Me2SO4 RCRA waste number U103 SULPHURIC ACID DIMETHYL ESTER Schwefelsäuredimethylester Sulfate de methyle Sulfate dimethylique Sulfuric acid dimethyl ester dimethyl sulfate dimethyl sulfate, 3H-labeled dimethylesterkyselinysirove dimethylesterkyselinysirove(czech) dimethylmonosulfate dimethylsulfat(czech) dimethylsulfate dms(methylsulfate) sulfuric acid, dimethyl ester 二甲基硫酸二甲基硫酸酯硫酸二
Beilstein Registry Number	635994
EC Number	201-058-1
MDL Number	MFCD00008416
PubChem Substance ID	6497
CAS Number	77-78-1
Chemical Name Translation	硫酸二甲酯
Merck Number	3256
Wiswesser Line Notation	1OSWO1
LabNetwork Molecule ID	LN00198123
Reaxys-RN	635994
InChI	InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3

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安全信息

GHS Symbol

WGK Germany3

Hazard statements

H227 Combustible liquid 可燃液体
H301 Toxic if swallowed 吞食有毒
H310 Fatal in contact with skin 皮肤接触致命
H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
H317 May cause an allergic skin reaction 可能导致皮肤过敏
H318 Causes serious eye damage 严重伤害眼睛
H319 Causes serious eye irritation 严重刺激眼睛
H330 Fatal if inhaled 吸入致命
H335 May cause respiratory irritation 可能导致呼吸道刺激
H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
H350 May cause cancer 可能致癌

Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RTECSWS8225000

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
P273 Avoid release to the environment. 避免释放到环境中。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P284 Wear respiratory protection.? 佩戴呼吸保护装置。
P301+P310
P301+P310+
P301+P310+P330
P301+P330+P331
P301+P330+P331+P310
P302+P350
P302+P352
P303+P361+P353
P303+P361+P353+P310+P363
P304+P340
P304+P340+P310
P305+P351+P338
P308+P311
P308+P313
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P320 Specific treatment is urgent (see … on this label). 紧急具体治疗（见本标签上的）。
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P333+P313
P337+P313
P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P370+P378
P403+P233
P403+P235
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word

Hazard Codes T+

Safety Statements

S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；

Risk Statements

R45 May cause cancer 可能致癌
R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
R34 Causes burns 会导致灼伤
R26 Very toxic by inhalation 吸入极毒
R25 Toxic if swallowed 吞咽有毒
R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险

UN Number UN 1595 6.1/PG 1

Packing GroupI

Hazard Class6.1/8

Storage condition 2-8°C

Restrict 剧毒

Warnings 危化品目录(2015)

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 17 mg/m3/19W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Sense Organs and Special Senses (Olfaction) - tumors
   Blood - lymphoma, including Hodgkin's disease
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger.)  V.1-75,
   1903-71.  For publisher information, see JCROD7.  Volume(issue)/page/year:
   74,241,1970

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 20 mg/kg
                          female 15 day(s) after conception
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Reproductive - Tumorigenic effects - transplacental tumorigenesis
   Brain and Coverings - tumors
REFERENCE :
   IARCCD IARC Scientific Publications.  (Geneva, Switzerland)  No.1-26,
   1971-78.  For publisher information, see IAPUDO.  Volume(issue)/page/year:
   4,45,1973

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger.)  V.1-75,
   1903-71.  For publisher information, see JCROD7.  Volume(issue)/page/year:
   74,241,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 205 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 45 mg/m3/4H
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - dyspnea
   Lungs, Thorax, or Respiration - cyanosis
   Blood - hemorrhage
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 24(11),55,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 140 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 23(3),28,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger

TYPE OF TEST            : Body fluid assay
TEST SYSTEM             : Rodent - rat Ovary
DOSE/DURATION           : 300 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 143,263,1985

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 100 mmol/L
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   14,101,1976

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 1000 ppm/13M
REFERENCE :
   GENTAE Genetics.  (Genetics Business Office, POB 64025, Baltimore, MD 21264)
    V.1-    1916-  Volume(issue)/page/year: 67,189,1971

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 130 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 9,141,1970

TYPE OF TEST            : Specific locus test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 5 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 182,243,1987

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 200 mg/L
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scien

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST S

TYPE OF TEST

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 100 mg/kg
SEX/DURATION            : female 15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   IARCCD IARC Scientific Publications.  (Geneva, Switzerland)  No.1-26,
   1971-78.  For publisher information, see IAPUDO.  Volume(issue)/page/year:
   4,45,1973

其他信息

灭火剂:水、泡沫, 二氧化碳
蒸气压:0.7 mm Hg ( 25 °C)
F:21
防护措施:本品剧毒。对呼吸系统粘膜和皮肤有强烈的刺激和腐蚀作用。影响神经系统和血液系统，损害心、肺、肝、肾等功能。大鼠经口LD50为440mg/kg。空气中含量达1%时，吸入人体即有致命危险。最高容许浓度为0.5mg/m3。可用氨水作为解毒剂。操作人员应穿戴防护用具。
3,4,5一三甲氧基甲苯的制备:在250ml三颈瓶中，加入17.0g的2, 6-二甲氧基-4-甲基苯酚，50ml甲苯，1.5g聚乙二醇—400，混合均匀后再加入5.0g氢氧化钠,在搅拌下缓慢滴加12.5ml硫酸二甲酯，滴加完毕，于90℃下回流1h,再加入少量水回流0.5h 冷却后，用氢氧化钠溶液和水分别洗涤3次，有机层经无水硫酸镁干燥，干燥后去除溶剂得到淡黄色液状物，收集135
毒性资料:人吸入 LCLo: 97ppm/10M。大鼠经口 LD50: 205mg/kg; 吸入 LC50: 45mg/m3/4H。小鼠经口LD50: 140 mg/kg; 吸入LC50: 280 mg/m3。硫酸二甲酯属高毒类，作用与芥子气相似，急性毒性类似光气，比氯气大15 倍。对眼、上呼吸道有强烈刺激作用，对皮肤有强腐蚀作用。可引起结膜充血、水肿、角膜上皮脱落，气管、支气管上皮细胞部分坏死，穿破导致纵膈或皮下气肿。此外，还可损害肝、肾及心肌等,皮肤接触后可引起灼伤,水疱及深度坏死。作用机理尚不完全明了，多数学者认为是由于该物质的甲基性质，它在体内水解成甲醇和硫酸而引起毒作用,这已由动物实验和死亡病例的血液和内脏中检测甲醇证实。 Ghiringhelli 认为对眼和皮肤的局部作用, 部分是由于硫酸所致, 而全身和神经系统的影响以及肺水肿是由于硫酸二甲酯分子本身的毒性作用, 因它能使体内某些重要基团甲基化所致。硫酸二甲酯是潜在的致癌物质和可引起染色体畸变的诱变剂，具挥发性、毒性、腐蚀性及环境危害，可通过皮肤、黏膜和胃肠吸收。其中毒症状可能延迟6-24小时显现出来，从而会造成对中毒源的不敏感及症状的进一步恶化。少量的硫酸二甲酯泄露可用浓碱溶液，如氨水、碱金属氢氧化物溶液等使之水解处理，但大量泄漏时，水解反应可能会非常剧烈。普通水与硫酸二甲酯反应的最终产物为甲醇与硫酸，反应较慢且产物对环境有害，因而硫
毒性分级:高毒
硫酸二甲酯价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 80054318
用途五:硫酸二甲酯是农药、染料、医药、香料工业等有机合成中广泛应用的甲基化剂。用以制造甲酯、甲醚、甲胺等。是二甲基亚砜、咖啡因、可待因、安乃近、氨基吡啉、甲氧苄氨嘧啶、香草醛以及农药乙酰甲胺磷等的原料。
摘要:无色或微黄色,略有葱头气味的油状可燃性液体。化学式(CH3)2SO4。分子量126.14。相对密度 1.3322(20℃/4℃)。熔点－31.8℃。沸点188℃/ 开环。闪点 83.33℃。自燃点 187.78℃。蒸气密度 4.35。蒸气压2.00kPa(15mmHg76℃)。溶于乙醇和乙醚, 在水中溶解度 2.8g/100ml。在18 ℃易迅速水解成硫酸和甲醇。在冷水中分解缓慢。遇热、明火或氧化剂可燃。作为甲基化试剂，可合成苯甲醚、安乃近、咖啡因、安替比林和甲氧基嘧啶、甲胺磷等。它与所有的强烷基化试剂类似，具高毒性，皮肤接触或吸入均有严重危害。在有机化学中的应用已逐渐被低毒的碳酸二甲酯和三氟甲磺酸甲酯所取代。
外观性质:无色或浅黄色透明液体，微带洋葱臭味。
蒸气密度:4.3 (vs air)
硫酸二甲酯价格(试剂级):更新日期产品编号产品名称包装价格 2011/08
上游原料:甲醇 --> 硫酸 --> 发烟硫酸 --> 硫磺 --> 氯磺酸 --> 烟酸 --> 三氧化硫 --> 发烟硫酸25%
用途二:用作测定煤焦油类的试剂，在有机合成中用作甲基取代剂，还可用作芳香族烃的溶剂
图谱信息:硫酸二甲酯(77-78-1)质谱(MS) 硫酸二甲酯(77-78-1)核磁图( 1 HNMR) 硫酸二甲酯(77-78-1)红外图谱(IR1)