CAS 99-65-0 MFCD00007222-1,3-Dinitrobenzene 1,3-二硝基苯 TAO{mole}

1,3-Dinitrobenzene 1,3-二硝基苯

CAS 99-65-0 MFCD00007222

化学结构图

SMILES: O=[N+]([O-])c1cccc([N+](=O)[O-])c1

化学属性

Mol. Formula	C6H4N2O4
Mol. Weight	168.11
Boiling Point	297 °C(lit.)
Density	1.368 g/mL at 25 °C(lit.)
Melting Point	89.0 to 92.0 deg-C
Flash Point	150°(302°F)
TSCA	Yes
Stability	对湿度敏感
Solubility	500 mg/L (20 °C)

别名和识别编码

Chemical Name	1,3-Dinitrobenzene
MDL Number	MFCD00007222
CAS Number	99-65-0
PubChem Substance ID	7452
EC Number	202-776-8
Beilstein Registry Number	5,258
Merck Number	3273
Synonym	1,3-Dinitrobenzene {LY} 1,3-Dinitrobenzene 1,3-Dinitrobenzol 1,3-dinitro-benzen 1,3-二硝基苯 1,3-二硝基苯, 97%, 99%(DRY WT.), MAY CONT. UP TO CA 5% WAT 1,3-二硝基苯,97% 1,3-硝基苯 1，3-二硝基苯，间二硝基苯 2,4-Dinitrobenzene 3-dinitrobenzene Benzene, 1,3-dinitro- Benzene, m-dinitro- Binitrobenzene Dwunitrobenzen M-DINITROBENZENE M-DinitrobenzeneGr dwunitrobenzen(polish) m-Dinitrobenzene m-dimitrobenzene m-dinitro-benzen m-dnb meta-dinitrobenzene ns {} {LY} 1,3-Dinitrobenzene {} {} {LY} 1,3-Dinitrobenzene {} {} {} {LY} 1,3-Dinitrobenzene {} {} {} {} {LY} 1,3-Dinitrobenzene {} {} {} {} {} {LY} 1,3-Dinitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dinitrobe
Chemical Name Translation	1,3-二硝基苯
Reaxys-RN	1105654
Wiswesser Line Notation	WNR CNW
LabNetwork Molecule ID	LN00226125
InChI	InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
Canonical SMILES	O=[N+]([O-])C1=CC([N+]([O-])=O)=CC=C1

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产品应用

比色测定17-甾酮类化合物，检验箭毒苷、毒毛旋花子。氨基酸的显色剂，有机微量分析测定氮的标准。有机合成。

安全信息

GHS Symbol

WGK Germany3

Hazard statements

H330 Fatal if inhaled 吸入致命
H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
H310 Fatal in contact with skin 皮肤接触致命
H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
H300 Fatal if swallowed 吞食致命
H301 Toxic if swallowed 吞食有毒
H300+H310+H330

Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

RTECSCZ7350000

Precautionary statements

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。
P308+P313
P304+P340+P310
P501 Dispose of contents/container to..… 处理内容物/容器.....
P302+P350
P337+P313
P403+P233
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。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P284 Wear respiratory protection.? 佩戴呼吸保护装置。
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。
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。
P305+P351+P338
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。
P273 Avoid release to the environment. 避免释放到环境中。
P301+P310
P305+P351+P338+P337+P313
P308+P311
P201 Obtain special instructions before use. 使用前获取专门指示。
P301+P310+P330

Signal word Danger

Safety Statements

S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
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；
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）；
S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
S20 When using do not eat or drink 使用时，不得进食，饮水；
S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染；
S4 Keep away from living quarters 远离生活区；
S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
S27/28

Packing GroupII

UN Number 3443 UN3443 UN 3443 6.1/PG 2

Risk Statements

R26/27/28 Very toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有剧毒
R11 Highly flammable 非常易燃
R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
R50/53
R33 Danger of cumulative effects 有累积作用的危险

Hazard Codes T+,N T+,N,T,F

Hazard Class6.1

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

Warnings 危化品目录(2015)

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD-A066-307

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TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human
DOSE/DURATION           : 28 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York,
   Academic Press, Inc., 1969  Volume(issue)/page/year: -,226,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 74700 ug/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - tremor
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volum

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD-A066-307

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF E

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 50 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 44,9,1977

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 12500 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 272,91,1992

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 3300 ng/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 2,531,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 24 mg/kg
SEX/DURATION            : male 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   14,284,1990

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 33600 ug/kg
SEX/DURATION            : female 16 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
REFERENCE :
   JTEHD6 Journal of Toxicology and Environmental Health.  (Hemisphere Pub.,
   1025 Vermont Ave., NW, Washington, DC 20005)  V.1-    1975/76-
   Volume(issue)/page/year: 7,829,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 90 mg/kg
SEX/DURATION            : male 12 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   JTEHD6 Journal of Toxicology and Environmental Health.  (Hemisphere Pub.,
   1025 Vermont Ave., NW, Washington, DC 20005)  V.1-    1975/76-
   Volume(issue)/page/year: 19,477,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 48 mg/kg
SEX/DURATION            : male 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Eff

Restrict 危险品

其他信息

职业标准:TLV-TWA 0.15 PPM
1,3-二硝基苯价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 80055026 1，3-二硝基苯;间二硝基苯 100g 32.8元 2011/04/16 D0817 1,3-二硝基苯 1,3-Dinitrobenzene 25G 250元 2011/04/16 D0817 1,3-二硝基苯 1,3-Dinitrobenzene 250G 1290元
爆炸物危险特性:与氧化剂混合可爆
Alfa Aesar:1,3-二硝基苯,97%,99%(drywt.),maycont.uptoca5%water 1,3-Dinitrobenzene, 99% (dry wt.), may cont. up to ca 5% water(99-65-0)
储运特性:库房通风低温干燥; 与氧化剂分开存放
下游产品:硝基苯 --> 1,3-二氯苯 --> 3-硝基苯胺 --> 间氨基苯甲醚 --> 2,3-二氯-1,4-萘醌 --> 大黄素 --> 2-硝基苯硫氯 --> 2-硝基苯磺酰胺
外观性质:无色固体，有挥发性。
用途三:主要用作染料、颜料及其他有机合成的中间体。在二硝基苯的异构体中，间二硝基苯的用途较多。
图谱信息:1,3-二硝基苯(99-65-0)红外图谱(IR1) 1,3-二硝基苯(99-65-0)红外图谱(IR2) 1,3-二硝基苯(99-65-0)质谱(MS) 1,3-二硝基苯(99-65-0)核磁图( 13 CNMR) 1,3-二硝基苯(99-65-0)Raman光谱 1,3-二硝基苯(99-65-0)核磁图( 1 HNMR) 1,3-二硝基苯(99-65-0)红外图谱(IR3)
类别:易燃固体
可燃性危险特性:遇明火、高温、氧化剂易燃; 燃烧产生有毒氮氧化物烟雾
方法一:由硝基苯经混酸硝化而得。二硝基苯粗品用亚硫酸钠溶液精制。精制滤液主要含硝基苯磺酸钠，这是邻二硝基苯和对二硝基苯与亚硫酸钠反应的产物。硝基苯用混酸硝化时，生成物中间二硝基苯约占88%、邻二硝基苯占10%、对二硝基苯占2%。异构体的分离方法，还有利用三者对乙醇或苯的溶解度不同而设计的后处理过程。
MOL 文件:99-65-0.mol
上游原料:硫酸 --> 硝酸 --> 苯 --> 亚硫酸钠 --> 焦亚硫酸钠 --> 硝基苯 --> 苯磺酸钠 --> 对二硝基苯 --> 1,2-二硝基苯
急性毒性:口服- 大鼠 LD50: 59.5 毫克/ 公斤; 口服- 小鼠 LD50: 74.7 毫克/ 公斤
灭火剂:水、干砂、二氧化碳、泡沫、1211灭火剂
毒性分级:高毒
刺激数据:眼- 兔子 100 毫克
TCI Shanghai:1,3-二硝基苯 1,3-Dinitrobenzene,>;99.0%(GC)(99-65-0)
有挥发性, 能随水蒸汽挥发. 微溶于水, 1g溶于20ml沸乙醇、37ml乙醇、320ml沸水、2000ml冷水。能溶于乙醇、乙醚、苯、氯仿和乙酸. 其蒸气较空气重4.8倍.有爆炸性. 干品对摩擦敏感. 有毒,有刺激性。空气中容许浓度为1毫克／米
用途二:用作分析试剂，也用于有机合成
用途一:主要用于制造间苯二胺、间二氯苯等染料、农药和医药中间体
MSDS 信息:1,3-二硝基苯(99-65-0).msds
有挥发性, 能随水蒸汽挥发. 微溶于水, 1g溶于20ml沸乙醇、37ml乙醇、320ml沸水、2000ml冷水。能溶于乙醇、乙醚、苯、氯仿和乙酸. 其蒸气较空气重4.8倍.有爆炸性. 干品对摩擦敏感. 有毒,有刺激性。空气中容许浓度为1毫克／米.