CAS 102-06-7 MFCD00001758-1,3-Diphenylguanidine 1,3-二苯胍 TAO{mole}

1,3-Diphenylguanidine 1,3-二苯胍

CAS 102-06-7 MFCD00001758

化学结构图

SMILES: N=C(Nc1ccccc1)Nc1ccccc1

化学属性

Mol. Formula	C13H13N3
Mol. Weight	211.26
Melting Point	146-148°C
Density	1.130
TSCA	Yes
Boiling Point	364.3°C at 760 mmHg
Flash Point	174.1°C
Solubility	微溶于水，不溶于汽油，溶于乙醇、氯仿、丙酮、甲醇、二甲苯。

别名和识别编码

Chemical Name	1,3-Diphenylguanidine
CAS Number	102-06-7
PubChem Substance ID	7594
EC Number	203-002-1
Beilstein Registry Number	12,369
MDL Number	MFCD00001758
Reaxys-RN	1875653
Merck Number	3324
Synonym	1,3-Diphenylguanidine {LY} 1,3-Diphenylguanidine {} {LY} 1,3-Diphenylguanidine {} {} {LY} 1,3-Diphenylguanidine {} {} {} {LY} 1,3-Diphenylguanidine {} {} {} {} {LY} 1,3-Diphenylguanidine {} {} {} {} {} {LY} 1,3-Diphenylguanidine {} {} {} {} {} {} {LY} 1,3-Diphenylguanidine {} {} {} {} {} {} {} {LY} 1,3-Diphenylguanidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylguanidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylguanidine {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylguanidine {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylguanidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylguanidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylguanidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylguanidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylguanidine {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation	1,3-二苯胍
Wiswesser Line Notation	MUYMR&MR
LabNetwork Molecule ID	LN00222972
InChI	InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
Canonical SMILES	N=C(NC1=CC=CC=C1)NC2=CC=CC=C2

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分类

{SNA} Bioactive Small Molecules, Building Blocks, Chemical Synthesis, DIG-DY, Guanidines, Nitrogen Compounds, Organic Building Blocks, 细胞生物学
{SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Application CRMs, Bioactive Small Molecules, Certified Reference Materials (CRMs), Chromatography, D, DIG-DY, DIO - DIZ, Standards for Personal Care and Cosmetic Products, Titrimetry, neats, prohibited substances (EU-REGULATION No 1223/2009), 细胞生物学
{SNA} Building Blocks, Chemical Synthesis,

产品应用

标定酸的基准物。橡胶硫化促进剂。石油分离萃取剂。

安全信息

GHS Symbol

WGK Germany2

Hazard statements

H302 Harmful if swallowed 吞食有害
H315 Causes skin irritation 会刺激皮肤
H335 May cause respiratory irritation 可能导致呼吸道刺激
H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
H319 Causes serious eye irritation 严重刺激眼睛
H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
H301 Toxic if swallowed 吞食有毒

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 dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Hazard Codes T,N

RTECSMF0875000

Precautionary statements

P305+P351+P338
P273 Avoid release to the environment. 避免释放到环境中。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
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。
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。
P332+P313
P501 Dispose of contents/container to..… 处理内容物/容器.....
P301+P312+P330
P302+P350
P337+P313
P308+P313
P403+P233
P305+
P301+P310
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P302+P352+P332+P313+P362+P364

Signal word Danger

UN Number UN3077 UN 3077 9/PG 3 3077

Safety Statements

S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
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

R51/53
R25 Toxic if swallowed 吞咽有毒
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R62 Possible risk of impaired fertility 有削弱生殖能力的危险

Packing GroupIII

Hazard Class9

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,974,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 323 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - tetany
REFERENCE :
   CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
   Filiales.  (SPPIF, B.P.22, F-41353 Vineuil, France)  V.1-    1849-
   Volume(issue)/page/year: 143,815,1949

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Deta

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >794 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NIH-95-3933

TYPE OF TEST            : Body fluid assay
TEST SYSTEM             : Rodent - mouse Bacteria - Salmonella typhimurium
DOSE/DURATION           : 36 ng/kg
REFERENCE :
   JEPOEC Journal of Environmental Pathology, Toxicology and Oncology.
   (Chem-Orbital, POB 134, Park Forest, IL 60466)  V.5(4)-    1984-
   Volume(issue)/page/year: 6(1-2),293,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 360 ng/plate
REFERENCE :
   JEPOEC Journal of Environmental Pathology, Toxicology and Oncology.
   (Chem-Orbital, POB 134, Park Forest, IL 60466)  V.5(4)-    1984-
   Volume(issue)/page/year: 6(1-2),293,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 33 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 8(Suppl
   7),1,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - hamster
DOSE                    : 224 mg/kg
SEX/DURATION            : male 56 day(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: 11,869,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 190 mg/kg
SEX/DURATION            : female 1-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
REFERENCE :
   JEPTDQ Journal of Environmental Pathology and Toxicology.  (Park Forest
   South, IL)  V.1-5(3), 1977-81(?).  For publisher information, see JEPOEC.
   Volume(issue)/page/year: 4(1),451,1980

TYPE OF TEST            : TDLo - Lowest

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 76 mg/kg
SEX/DURATION            : female 1-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   JEPTDQ Journal of Environmental Pathology and Toxicology.  (Park Forest
   South, IL)  V.1-5(3), 1977-81(?).  For publisher information, see JEPOEC.
   Volume(issue)/page/year: 4(1),451,1980

TYPE OF TEST            :

Storage condition -20°C {LY} -20°C {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

MSDS 信息:二苯胍(102-06-7).msds
图谱信息:二苯胍(102-06-7)红外图谱(IR2) 二苯胍(102-06-7)红外图谱(IR1) 二苯胍(102-06-7)质谱(MS) 二苯胍(102-06-7)Raman光谱二苯胍(102-06-7)核磁图( 13 CNMR)
用途二:主要用作天然胶与合成胶的中速促进剂。常用作噻唑类、秋兰姆及次碘酰类促进剂的活性剂，与促进剂DM、TMTD并用时，可用于连续硫化。用噻唑类促进剂的第二促进剂时，硫化胶的耐老性能有所下降，必须配以适当的防老剂。在氯丁胶中，该品有增塑剂和塑解剂的作用。该品不适于白色或浅色制品以及与食物接触的橡胶制品。主要用于制造轮胎、胶板、鞋底、工业制品、硬质胶和厚壁制品。作为第二促进剂用量为1-2份，作噻唑促进剂的第二促进剂时一般用量为0.1-0.5份。二苯胍的衍生物铬酪二苯胍是一种高效防锈剂。二苯胍还被用作塑料交联剂，示温材料，矿石浮选用助剂，涂料助剂，抛光材料助剂，金属分析试剂及建材用助剂。
二苯胍价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 30075716 二苯胍 100g 48元 2011/08/23 30075726 二苯胍 100g 29元 2011/04/16 D0892 1,3-二苯胍 1,3-Diphenylguanidine 500G 545元
上游原料:氢氧化铵 --> 氨 --> 氨基苯 --> 二硫化碳 --> 氧 --> 氧化铅 --> 醋酸铜 --> 氧化铁 --> 萃取剂 --> 脱硫剂 --> N,N'-二苯基硫脲
用途三:用作天然橡胶和合成橡胶的中速促进剂，也作为噻唑类、秋兰姆类及次磺酰胺类促进剂的活化剂。在氯丁胶中有增塑剂、塑解剂的作用。主要用于制造轮胎、胶板鞋底等橡胶制品。
下游产品:直接蓝 86
Sigma Aldrich:102-06-7(sigmaaldrich)
MOL 文件:102-06-7.mol
海关编码:29252000
Alfa Aesar:1,3-联苯基胍,primarystandard,99+% 1,3-Diphenylguanidine, primary standard, 99+%(102-06-7)
方法一:我国二苯胍生产工艺均为二硫化碳和苯胺缩合制得二苯硫脲，再由二苯硫脲、氧化铅、氢氧化铵与硫酸铵在40-70℃的条件下制成二苯胍的硫酸盐，经提取、过滤，中和得半成品。再经干燥、筛选即得成品促进剂D。各生产工艺的不同点主要集中在二苯硫脲合成二苯胍这一步，早期国内采用氧化铅法，由于产品质量差、操作人员的粉尘污染（铅粉尘）、母液的三废处理、收率低等问题，此方法在20世纪90年代后期基本已停止使用。此法用氧化铅作脱硫剂，用氨水作胺化剂，用硫酸铵作为二苯胍的萃取剂，在原料消耗、环境保护方面都存在问题。改用氧化锌可改进原有的生产工艺。90年代中期，国内有氧化锌法和氧化铁法的报道，但因各种原因并未普及，已被淘汰。现在所有国内二苯胍的生产企业均采用氧气法生产，即二苯硫脲与氧气、氨水反应8h后得二苯胍。原料消耗定额：二苯硫脲1250kg/t、氧气240m3、醋酸铜（催化剂）0.86kg/t、氨水1000kg/t、水252kg/t。
外观性质:白色粉末,无臭,味苦。
Acros Organics:1,3-二苯基胍 1,3-Diphenylguanidine, 97%(102-06-7)
用途一:用作天然胶和合成胶的中速促进剂，主要用于制造轮胎、胶板、胶鞋等橡胶工业制品
微有气味。味苦。加热至170℃时分解。易溶于稀无机酸，溶于乙醇、氯仿、热苯和热甲苯，微溶于水。水溶液呈强碱性。有毒，半数致死量(小鼠，经口)290mg/kg。有刺激性。
TCI Shanghai:1,3-二苯胍 1,3-Diphenylguanidine,>;98.0%(T)(102-06-7)