CAS 502496-36-8 3-Bromo-5-fluoro-2-methylaniline (HCID 2737641)

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Basic information

CAS: 502496-36-8
Standard SMILES: Cc1c(N)cc(F)cc1Br
InChIKey: DSYSVUWIAUMZDQ-UHFFFAOYSA-N
Molecular formula: C7H7BrFN
Average molar mass: 204.04 g/mol
Monoisotopic mass: 202.97458954

Names & identifiers

Preferred name: 3-Bromo-5-fluoro-2-methylaniline
IUPAC: 3-bromo-5-fluoro-2-methylaniline
English name: 3-Bromo-5-fluoro-2-methylaniline
Molecular formula: C7H7BrFN
Molecular weight: 204.04

Names & synonyms

3-bromo-5-fluoro-2-methylaniline502496-36-83-Bromo-5-fluoro-2-methylbenzenamineDTXSID60372199RefChem:498902DTXCID10323232963-238-22-Amino-6-bromo-4-fluorotoluene3-bromo-5-fluoro-2-methyl-anilineMFCD030941933-bromo-5-fluoro-2-methylphenylamineBenzenamine, 3-bromo-5-fluoro-2-methyl-

Show more names

2-Methyl-3-bromo-5-fluoroaniline2-Amino-6-bromo-4-fluorotoluene 98%3-Bromo-5-fluoro-2-methylaniline ISO 9001：2015 REACH

3-bromo-5-fluoro-2-methyl-phenylamineSCHEMBL1088034DSYSVUWIAUMZDQ-UHFFFAOYSA-NSBB093218AKOS015888222CS-W005684SB78435DS-16633

Database identifiers

CAS: 502496-36-8
PubChem CID: 2737641
DTXSID: DTXSID60372199
EC Number: 963-238-2

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: 259 ℃ · 259℃
Density: 1.589 · 1.589
Flash point: 110 ℃ · 110℃
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 2.36 · 2.36±0.10(Predicted)
form: powder
color: Light orange to light brown
InChI: InChI=1S/C7H7BrFN/c1-4-6(8)2-5(9)3-7(4)10/h2-3H,10H2,1H3
InChIKey: DSYSVUWIAUMZDQ-UHFFFAOYSA-N
SMILES: C1(N)=CC(F)=CC(Br)=C1C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HS Code: 2921490090 · 2921490090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.