5-Bromo-2-fluoro-4-methylaniline

HCID 46739114CAS 945244-29-1

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(F)c(N)cc1Br
InChIKey: VPENPNZYTNWJNP-UHFFFAOYSA-N
Molecular formula: C7H7BrFN
Average molar mass: 204.04 g/mol
Monoisotopic mass: 202.97458954

Names & identifiers

Preferred name: 5-Bromo-2-fluoro-4-methylaniline
IUPAC: 5-bromo-2-fluoro-4-methylaniline
English name: 5-Bromo-2-fluoro-4-methylaniline
Molecular formula: C7H7BrFN
Molecular weight: 204.04

Names & synonyms

5-BROMO-2-FLUORO-4-METHYLANILINE945244-29-1DTXSID606747465-Bromo-2-fluoro-4-methylbenzenamineRefChem:533205DTXCID60625495984-389-0MFCD115048865-Bromo-2-fluoro-4-methyl-phenylamineSCHEMBL1684498CK23405-bromo-2-fluoro-4-methylphenylamine

Show more names

(5-Bromo-2-fluoro-4-methylphenyl)amineBenzenamine, 5-bromo-2-fluoro-4-methyl-4-Amino-2-bromo-5-fluorotoluene, 5-Bromo-2-fluoro-p-toluidine

AMY24000SCHEMBL293588555-bromo-2-fluoro-4-methyl-anilineAKOS0158340AKOS015834016CS-W022307SB77962AS-18078

Database identifiers

CAS: 945244-29-1
PubChem CID: 46739114
DTXSID: DTXSID60674746
EC Number: 984-389-0

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 120

Physicochemical properties

Boiling point: 244 ℃ · 244℃
Density: 1.589 · 1.589
Flash point: 101 ℃ · 101℃
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 2.56 · 2.56±0.10(Predicted)
form: crystalline powder
color: Creamy goldfaint tan, tiny flakes
InChI: 1S/C7H7BrFN/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,10H2,1H3
InChIKey: VPENPNZYTNWJNP-UHFFFAOYSA-N
SMILES: CC1=CC(F)=C(C=C1Br)N
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 280 · P280
HS Code: 2921420090 · 2921420090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

hs_code: 2921420090
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P280