CAS 7693-45-0 4-Chlorophenyl chloroformate (HCID 139059)

Names & identifiers

Preferred name: 4-Chlorophenyl chloroformate
IUPAC: (4-chlorophenyl) carbonochloridate
English name: 4-Chlorophenyl chloroformate
Molecular formula: C7H4Cl2O2
Molecular weight: 191.01

Names & synonyms

4-Chlorophenyl chloroformate7693-45-0(4-chlorophenyl) carbonochloridateDTXSID60227716RefChem:522026DTXCID10150207626-526-64-Chlorophenyl carbonochloridatep-Chlorophenyl chloroformatecarbonochloridic acid, 4-chlorophenyl esterMFCD000006384-Chlorophenyl carbonochloridate; 4-Chlorophenyl chloroformate

Show more names

4-Chlorophenyl Chloroformate >4-Chlorophenyl chloridocarbonate4-Chlorophenyl carbonochloridoateCarbonochloridic acid,4-chlorophenyl esterForMic acid, chloro-, p-chlorophenyl ester (6CI,8CI)

4-CHLOROPHENYLCHLOROFORMATEChloroformic Acid 4-Chlorophenyl EsterSCHEMBL594624-chloro-phenyl chloroformate4-(chloro)phenyl chloroformate4-Chlorophenyl chloridocarbonate4-Chlorophenyl chloridocarbonate #4-Chlorophenyl chloroformate, 98%

Database identifiers

CAS: 7693-45-0
PubChem CID: 139059
DTXSID: DTXSID60227716
EC Number: 626-526-6
Nikkaji: J654.198D

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 141

Physicochemical properties

Melting point: 30 °C · 30 °C
Boiling point: 100 · 100-102 °C/12 mmHg (lit.)
Density: 1.365 g/mL · 1.365 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.533(lit.)
Flash point: 218 °F · 218 °F
storage temp.: 2 · 2-8°C
solubility: It is soluble in organic solvents.
form: Liquid
Specific Gravity: 1.365 · 1.365
color: Colorless to Almost colorless
Sensitive: Moisture Sensitive
InChI: 1S/C7H4Cl2O2/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H
InChIKey: RYWGPCLTVXMMHO-UHFFFAOYSA-N
SMILES: ClC(=O)Oc1ccc(Cl)cc1
CAS DataBase Reference: 7693 · 7693-45-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H314
Precautionary statements: 261 · P261-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: T,C
Risk Statements: 23 · 23/24/25-34
Safety Statements: 26 · 26-28-36/37/39-45
RIDADR: 3277 · UN 3277 6.1/PG 2
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29159000 · 29159000
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
Limited Quantities: 100 ml · 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (97.8%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3277 6.1/PG 2
hs_code: 29159000
risk_code: 23/24/25-34
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T,C
safety_code: 26-28-36/37/39-45
hazard_class: 6.1
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: II
Hazard statements: H301+H311+H331-H314
Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
Precautionary statements: P261-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications

UsesIt is widely used as an chemical intermediate and in research purpose. 4-Chlorophenyl chloroformate was used in the preparation of N-hydroxy-N-methylcarbamate 4-chlorophenyl ester.

Uses4-Chlorophenyl chloroformate was used in the preparation of N-hydroxy-N-methylcarbamate 4-chlorophenyl ester.