Basic information
- CAS
19752-09-1- Standard SMILES
O=C=NCc1ccc(Cl)c(Cl)c1- InChIKey
WLNAHQZFPSSVTP-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2NO
- Average molar mass
- 202.03 g/mol
- Monoisotopic mass
- 200.97481914
Names & identifiers
- Preferred name
- 1,2-Dichloro-4-(isocyanatomethyl)benzene
- IUPAC
- 1,2-dichloro-4-(isocyanatomethyl)benzene
- English name
- 3,4-Dichlorobenzyl isocyanate
- Molecular formula
- C8H5Cl2NO
- Molecular weight
- 202.04
Names & synonyms
1,2-dichloro-4-(isocyanatomethyl)benzeneRefChem:411590624-880-63,4-Dichlorobenzyl isocyanate19752-09-13,4-DichlorobenzylisocyanateBenzene, 1,2-dichloro-4-(isocyanatomethyl)-(3,4-dichlorophenyl)methanisocyanate1,2-DICHLORO-4-ISOCYANATOMETHYL-BENZENESCHEMBL1393413,4-dichloro-benzyl isocyanateSCHEMBL30387398
Show more names
3,4-DICHLOROBENZYL ISOCYANATE 98%3,4-Dichlorobenzyl isocyanate, 98% 1GR
TIMTEC-BB SBB006646DTXSID00369866WLNAHQZFPSSVTP-UHFFFAOYSA-N3,4-Dichlorobenzyl isocyanate,98%GEO-03254MFCD00673063SBB0066463,4-Dichlorobenzyl isocyanate, 95%
Database identifiers
- CAS
19752-09-1- PubChem CID
- 2733368
- DTXSID
DTXSID00369866- EC Number
- 624-880-6
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 282 °C · 282 °C(lit.)
- Density
- 1.375 g/mL · 1.375 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.568(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- -20 °C · -20°C
- form
- Slightly Viscous Liquid
- color
- Clear colorless
- CAS DataBase Reference
- 19752 · 19752-09-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2206 6.1/PG 3
- hs_code
- 29291000
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers27 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.
Related reactions
41 records
Compound notes
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