CAS 62538-21-0|2-(4-Chlorophenyl)-2-cyanoacetaldehyde

Introduction：Basic information about CAS 62538-21-0|2-(4-Chlorophenyl)-2-cyanoacetaldehyde, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Synonyms

Common Name	2-(4-Chlorophenyl)-2-cyanoacetaldehyde
CAS Number	62538-21-0	Molecular Weight	179.60300
Density	1.263 g/cm3	Boiling Point	283.8ºC at 760 mmHg
Molecular Formula	C₉H₆ClNO	Melting Point	157ºC
MSDS	/	Flash Point	125.4ºC

Names

Name	2-(4-Chlorophenyl)-2-cyanoacetaldehyde
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.263 g/cm3
Boiling Point	283.8ºC at 760 mmHg
Melting Point	157ºC
Molecular Formula	C₉H₆ClNO
Molecular Weight	179.60300
Flash Point	125.4ºC
Exact Mass	179.01400
PSA	40.86000
LogP	2.14608
Index of Refraction	1.552
InChIKey	DAEXXSXAEMFPHQ-UHFFFAOYSA-N
SMILES	N#CC(C=O)c1ccc(Cl)cc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AL8310000

CHEMICAL NAME :: Acetonitrile, 2-(p-chlorophenyl)-2-formyl-

CAS REGISTRY NUMBER :: 62538-21-0

BEILSTEIN REFERENCE NO. :: 0743641

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H6-Cl-N-O

MOLECULAR WEIGHT :: 179.61

WISWESSER LINE NOTATION :: VHYCN&R DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Safety Information

Hazard Codes	Xn: Harmful;
Risk Phrases	R20/21/22;R36/37/38
Safety Phrases	S26-S36/37/39
RIDADR	UN 3276
HS Code	2926909090

Customs

HS Code	2926909090
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Synonyms

2-(4-chlorophenyl)-3-oxopropanenitrile

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