Basic information
- CAS
64459-25-2- Standard SMILES
N#Cc1ccc(OC(=O)Cl)cc1- InChIKey
UMOIFGNHLTVCEK-UHFFFAOYSA-N- Molecular formula
- C8H4ClNO2
- Average molar mass
- 181.57 g/mol
Names & identifiers
- Preferred name
- 4-Cyanophenyl chloroformate
- IUPAC
- (4-cyanophenyl) carbonochloridate
- English name
- Carbonochloridic acid, 4-cyanophenyl ester
- Molecular formula
- C8H4ClNO2
- Molecular weight
- 181.58
Names & synonyms
4-cyanophenyl chloroformate64459-25-2RefChem:522252993-890-3(4-cyanophenyl) carbonochloridate4-cyanophenyl carbonochloridateCarbonochloridic acid, 4-cyanophenyl ester4-cyanophenylchloroformateSCHEMBL2189997UMOIFGNHLTVCEK-UHFFFAOYSA-NPCA45925MFCD24141154
Show more names
AKOS020226598AS-95153EN300-281251G82947
Database identifiers
- CAS
64459-25-2- PubChem CID
- 15917602
- EC Number
- 993-890-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 277.4 · 277.4±23.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers8 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
上海平创化工科技有限公司15001988657 15802146997
上海鑫圭生物科技有限公司15121041756 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
山东鸿图生物科技有限公司15966937598 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
2 records
Compound notes
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