2-fluoro-4-methyl-aniline

Modify Date: 2025-08-22 23:23:10

2-fluoro-4-methyl-aniline Structure
2-fluoro-4-methyl-aniline structure
Common Name 2-fluoro-4-methyl-aniline
CAS Number 452-80-2 Molecular Weight 125.144
Density 1.1±0.1 g/cm3 Boiling Point 196.5±0.0 °C at 760 mmHg
Molecular Formula C7H8FN Melting Point 3 °C
MSDS Chinese USA Flash Point 79.4±0.0 °C
Symbol GHS06
GHS06
Signal Word Danger

 Names

Name 2-Fluoro-4-Methylaniline
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 196.5±0.0 °C at 760 mmHg
Melting Point 3 °C
Molecular Formula C7H8FN
Molecular Weight 125.144
Flash Point 79.4±0.0 °C
Exact Mass 125.064079
PSA 26.02000
LogP 1.73
Vapour Pressure 0.4±0.3 mmHg at 25°C
Index of Refraction 1.542
InChIKey ZQEXBVHABAJPHJ-UHFFFAOYSA-N
SMILES Cc1ccc(N)c(F)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XU6650000
CHEMICAL NAME :
p-Toluidine, 2-fluoro-
CAS REGISTRY NUMBER :
452-80-2
BEILSTEIN REFERENCE NO. :
2637578
LAST UPDATED :
199707
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H8-F-N
MOLECULAR WEIGHT :
125.16
WISWESSER LINE NOTATION :
ZR BF D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - wild bird species
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 21,315,1972

 Safety Information

Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H301-H311-H315-H319-H331-H335
Precautionary Statements P261-P280-P301 + P310-P305 + P351 + P338-P311
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes T:Toxic;
Risk Phrases R23/24/25;R36/37/38
Safety Phrases S26-S36/37/39-S45
RIDADR UN 2810 6.1/PG 3
WGK Germany 3
RTECS XU6650000
Packaging Group III
Hazard Class 6.1
HS Code 2921430090

 Synthetic Route

~%

2-fluoro-4-methyl-aniline Structure

2-fluoro-4-meth...

CAS#:452-80-2

Literature: Ostaszynski Bl.Soc.Sci.Lett.Lodz, 1952 , vol. <3>3, # 15 p. 6

~93%

2-fluoro-4-methyl-aniline Structure

2-fluoro-4-meth...

CAS#:452-80-2

Literature: Ji, Pengju; Atherton, John H.; Page, Michael I. Journal of Organic Chemistry, 2012 , vol. 77, # 17 p. 7471 - 7478

~%

2-fluoro-4-methyl-aniline Structure

2-fluoro-4-meth...

CAS#:452-80-2

Literature: Tomcufcik,A.S.; Seeger,D.R. Journal of Organic Chemistry, 1961 , vol. 26, p. 3351 - 3356

 Customs

HS Code 2921430090
Summary HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles3

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Synthesis of chiral building blocks for use in drug discovery.

Molecules 9(6) , 405-26, (2004)

In the past decade there has been a significant growth in the sales of pharmaceutical drugs worldwide, but more importantly there has been a dramatic growth in the sales of single enantiomer drugs. Th...

Rat liver microsomal metabolism of 2-halogenated 4-methylanilines.

Xenobiotica 22(12) , 1403-23, (1992)

1. Rat liver microsomal metabolism of 2-fluoro-, 2-chloro- and 2-bromo-4-methylaniline was investigated using h.p.l.c. Metabolites identified include products from side-chain C-hydroxylation (benzyl a...

Indoline derivatives as 5-HT(2C) receptor agonists.

Bioorg. Med. Chem. Lett. 14 , 2367-2370, (2004)

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 Synonyms

4-Amino-3-fluorotoluene
Benzenamine, 2-fluoro-4-methyl-
p-Toluidine, 2-fluoro-
2-Fluoro-4-methylaniline
Aniline, 2-fluoro-4-methyl-
2-Fluoro-4-methyaniline
ZR BF D1
MFCD00040975
EINECS 259-564-3
2-Fluoro-4-methylbenzenamine
2-Fluoro-p-toluidine
2-fluoro-4-methyl-aniline
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