Benzyl chloroformate

HCID 178820851CAS 94274-21-2

Basic information

Standard SMILES
O=C(Cl)OCc1ccccc1
InChIKey
HSDAJNMJOMSNEV-UHFFFAOYSA-N
Molecular formula
C8H7ClO2
Average molar mass
170.59 g/mol

Overview

Benzyl chloroformate appears as a colorless liquid with an acrid odor. Vapors irritate eyes and mucous membranes. Corrosive to metals and tissue. Long-term inhalation of low concentrations or short-term inhalation of high concentrations can result in adverse health effects.

Names & identifiers

Preferred name
Benzyl chloroformate
IUPAC
benzyl carbonochloridate
English name
benzyl chloroformate
Molecular formula
C8H7ClO2
Molecular weight
170.59

Names & synonyms

BENZYL CHLOROFORMATE501-53-1Benzyl carbonochloridateCarbobenzoxy chlorideBenzyl chlorocarbonateBenzylcarbonyl chlorideBenzyloxycarbonyl chlorideCarbobenzyloxy chlorideCarbonochloridic acid, phenylmethyl esterChloroformic Acid Benzyl EsterChloroformic acid, benzyl esterBenzylcarbonochloridate
Show more names
Benzyl chloroformate [un1739] [corrosive]
Formic acid, chloro-, benzyl esterDTXSID9027158170BP0DD31NSC-83466DTXCID607158RefChem:118863207-925-0Cbz chloride

Database identifiers

CAS
94274-21-2
ChEMBL
CHEMBL1581748
UNII
170BP0DD31
EC Number
207-925-0
Nikkaji
J6.192A

Properties

Computed structural properties

XLogP
3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
11

Experimental & physicochemical properties

Chemical Classes · 2 items

Toxic Gases & Vapors -> Acid Halides

Corrosives

SpringerMaterials PropertiesChemical shift
Odor · 3 items

ACRID ODOR

ODOR OF PHOSGENE

SHARP, PENETRATING ODOR

Density · 4 items

1.22 at 68 °F (USCG, 1999) - Denser than water; will sink

1.2166 20 °C/4 °C

Relative density (water = 1): 1.20

1.2166 @ 20°C

Viscosity2.57 mPa-s (cP) @ 20 °C
Color/Form · 2 items

OILY LIQUID

COLORLESS TO PALE YELLOW LIQUID

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.6% (1 of 173) of reports.

Danger

H314 (99.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Hazard information

Regulatory Information · 5 items

Chemical: Carbonochloridic acid, phenylmethyl ester

Carbonochloridic acid, phenylmethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbonochloridic acid, phenylmethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 02-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/12078

Benzyl chloroformate: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
DOT LabelCorrosive
Fire Hazards · 3 items

Special Hazards of Combustion Products: Toxic phosgene, hydrogen chloride, and benzyl chloride vapors may form.

· EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, some of these materials may burn, but none ignite readily.

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Fire PotentialCOMBUSTIBLE
Health Hazards · 2 items

Inhalation causes mucous membrane irritation. Eyes are irritated by excessive exposure to vapor. Liquid causes severe irritation of eyes and irritates skin. Ingestion causes irritation of mouth and stomach. (USCG, 1999)

· CORROSIVE and/or TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

Safety & protection

Fire Fighting · 2 items

Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:

Use dry powder, foam, carbon dioxide.

First Aid Measures · 4 items

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .

Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.

First Aid · 2 items

INHALATION: remove from exposure; support respiration; call physician.

General First Aid:

Safe StorageSeparated from food and feedstuffs. Dry. Well closed.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Toxicology

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.
Signs and Symptoms · 4 items

Cough. Shortness of breath. Sore throat. Laboured breathing.

Skin burns.

Watering of the eyes. Severe deep burns.

Burning sensation. Abdominal pain. Shock or collapse.

Human Toxicity Excerpts · 2 items

... LACRIMATOR.

INHALATION CAUSES MUCOUS MEMBRANE IRRITATION. EYES ARE IRRITATED BY EXCESSIVE EXPOSURE TO VAPOR. LIQ CAUSES IRRITATION OF EYES & IRRITATES SKIN. INGESTION CAUSES IRRITATION OF MOUTH & STOMACH.

Toxicity DataLC50 (rat) = 590 mg/m3/4h

Chemistry & industry

Uses & manufacturing

Uses · 3 items

Used to make pharmaceuticals and other chemicals; [HSDB]

In peptide synthesis to block the amino group.

Reactive intermediate to pharmaceuticals and other chemicals.

ImpuritiesMay contain 3% or less benzyl chloride
U.S. Production2023: 631,297 lb
Consumption PatternsAPPROX 100% AS A REAGENT IN /PRC: ORGANIC/ SYNTHESIS
Consumer UsesTerminator/Blocker
Industry UsesTerminator/Blocker

Suppliers2 total

HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]

Related reactions

0 records

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