CAS 1194-02-1|4-Fluorobenzonitrile

Introduction：Basic information about CAS 1194-02-1|4-Fluorobenzonitrile, 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. Articles2
7. Synonyms

Common Name	4-Fluorobenzonitrile
CAS Number	1194-02-1	Molecular Weight	121.112
Density	1.2±0.1 g/cm3	Boiling Point	189.6±13.0 °C at 760 mmHg
Molecular Formula	C₇H₄FN	Melting Point	32-34 °C(lit.)
MSDS	ChineseUSA	Flash Point	65.6±0.0 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	4-Fluorobenzonitrile
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	189.6±13.0 °C at 760 mmHg
Melting Point	32-34 °C(lit.)
Molecular Formula	C₇H₄FN
Molecular Weight	121.112
Flash Point	65.6±0.0 °C
Exact Mass	121.032776
PSA	23.79000
LogP	1.70
Vapour Pressure	0.6±0.4 mmHg at 25°C
Index of Refraction	1.511
InChIKey	AEKVBBNGWBBYLL-UHFFFAOYSA-N
SMILES	N#Cc1ccc(F)cc1
Storage condition	2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DI4368500

CHEMICAL NAME :: Benzonitrile, p-fluoro-

CAS REGISTRY NUMBER :: 1194-02-1

LAST UPDATED :: 199701

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >300 mg/kg

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

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,906,1978

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 gm/kg

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

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 41,41,1986

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302 + H312 + H332
Precautionary Statements	P280
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	Xn:Harmful
Risk Phrases	R20/21/22;R36/37/38
Safety Phrases	S36/37-S36/37/39-S26
RIDADR	UN 1325 4.1/PG 2
WGK Germany	3
RTECS	DI4368500
Packaging Group	III
Hazard Class	6.1
HS Code	29269095

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%

Articles2

Actinide-mediated coupling of 4-fluorobenzonitrile: synthesis of an eight-membered thorium(IV) tetraazametallacycle.

Chem. Commun. (Camb.) (10) , 1029-31, (2007)

An eight-membered thorium(IV) tetraazamacrocycle is produced by the sequential, metal-mediated coupling of four equivalents of 4-fluorobenzonitrile; its formation is consistent with the involvement of...

Poly (triphenylamine) s derived from oxidative coupling reaction: Substituent effects on the polymerization, electrochemical, and electro-optical properties. Lin H-Y and Liou G-S.

J. Polym. Sci. A Polym. Chem. 47(1) , 285-294, (2009)

Synonyms

DI4368500 [RTECS]

4-Fluorobenzonitrile

PFBN

MFCD00001812

p-Fluorobenzonitrile

Benzonitrile,4-fluoro

NCR DF

EINECS 214-784-9

4-fluorobenzenecarbonitrile

Benzonitrile, 4-fluoro-

p-Cyanofluorobenzene

para-fluorocyanobenzene

BENZONITRILE,p-FLUORO

4-CYANOFLUOROBENZENE

4-fluoro-benzonitrile

1-Cyano-4-fluorobenzene

para-fluorobenzonitrile

4-fluorocyanobenzene

para-cyano fluorobenzene

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