(3-Bromo-4-fluorophenyl)methanamine

HCID 2724902

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Basic information

CAS: 388072-39-7
Standard SMILES: NCc1ccc(F)c(Br)c1
InChIKey: WIRTWOIWFFCEPB-UHFFFAOYSA-N
Molecular formula: C7H7BrFN
Average molar mass: 204.04 g/mol
Monoisotopic mass: 202.97458954

Names & identifiers

Preferred name: (3-Bromo-4-fluorophenyl)methanamine
IUPAC: (3-bromo-4-fluorophenyl)methanamine
English name: (3-bromo-4-fluorophenyl)methanamine
Molecular formula: C7H7BrFN
Molecular weight: 204.04

Names & synonyms

(3-bromo-4-fluorophenyl)methanamine388072-39-7DTXSID30369278RefChem:207541DTXCID80320314844-004-8Benzenemethanamine, 3-bromo-4-fluoro-3-BROMO-4-FLUOROBENZYLAMINE3-Bromo-4-fluorobenzyl amineMFCD062127581-(3-bromo-4-fluorophenyl)methanamine3-bromo-4-fluoro-benzylamine

Show more names

(3-bromo-4-fluoro-phenyl)methanamineSCHEMBL51845SCHEMBL27900655WIRTWOIWFFCEPB-UHFFFAOYSA-N3-Bromo-4-fluorobenzenemethanamineNQA07239STR05001AKOS000140661

Database identifiers

CAS: 388072-39-7
PubChem CID: 2724902
DTXSID: DTXSID30369278
EC Number: 844-004-8
Nikkaji: J2.323.056I

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Boiling point: 250.5 · 250.5±25.0 °C(Predicted)
Density: 1.571 · 1.571±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 8.72 · 8.72±0.10(Predicted)
Appearance: Light yellow to yellow Oil
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 302 · H302-H312-H314-H332
Precautionary statements: 280 · P280-P305+P351+P338-P310
RIDADR: 2735 · UN2735
HazardClass: 8 · 8
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, 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. 4 (100%)

Safety data

ridadr: UN2735
Signal word: Danger
Symbol(GHS): GHS05
hazard_class: 8
Hazard statements: H302-H312-H314-H332
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P280-P305+P351+P338-P310