2-Chloro-4-fluorobenzylamine

HCID 139909

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Basic information

CAS: 15205-11-5
Standard SMILES: NCc1ccc(F)cc1Cl
InChIKey: CBKWAXKMZUULLO-UHFFFAOYSA-N
Molecular formula: C7H7ClFN
Average molar mass: 159.59 g/mol
Monoisotopic mass: 159.02510512

Names & identifiers

Preferred name: 2-Chloro-4-fluorobenzylamine
IUPAC: (2-chloro-4-fluorophenyl)methanamine
English name: 2-Chloro-4-fluorobenzylamine
Molecular formula: C7H7ClFN
Molecular weight: 159.59

Names & synonyms

2-Chloro-4-fluorobenzylamine15205-11-5DTXSID10164945RefChem:468993DTXCID6087436670-919-5(2-chloro-4-fluorophenyl)methanamine2-chloro-4-fluorobenzyl amine1-(2-chloro-4-fluorophenyl)methanamineMFCD00042532(2-chloro-4-fluorophenyl)methylamineBenzenemethanamine, 2-chloro-4-fluoro-

Show more names

RARECHEM AL BW 04782-Chloro-4-fluorobenzylamine97%2-Chloro-4-fluorobenzylamine 97%2-Chloro-4-fluorobenzylamine, tech. 90%

2-Chloro-4-Florobenzylamine2-Chloro4-fluorobenzylamine2-chloro-4-fluorobenzylamideSCHEMBL211919SCHEMBL6222592-chloro-4-fluoro-benzylamineSCHEMBL27599031SCHEMBL27694498

Database identifiers

CAS: 15205-11-5
PubChem CID: 139909
DTXSID: DTXSID10164945
EC Number: 670-919-5
Nikkaji: J307.665B

Properties

Computed structural properties

XLogP: 1.8
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

Melting point: 172 · 172-173 °C(Solv: N,N-dimethylformamide (68-12-2))
Boiling point: 94 °C · 94 °C
Density: 1.27 · 1.270±0.06 g/cm3(Predicted)
refractive index: 1.535 · 1.535
Flash point: 110 °C · >110°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 8.46 · 8.46±0.10(Predicted)
form: liquid
color: Clear, colourless
Sensitive: Air Sensitive
BRN: 2936421 · 2936421
InChI: InChI=1S/C7H7ClFN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H,4,10H2
InChIKey: CBKWAXKMZUULLO-UHFFFAOYSA-N
SMILES: C1(CN)=CC=C(F)C=C1Cl
CAS DataBase Reference: 15205 · 15205-11-5(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 2735 · 2735
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2921490090 · 2921490090
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

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

ridadr: 2735
hs_code: 2921490090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39
hazard_class: 8
packing_group: III
Hazard statements: H314-H318
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: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-chloro-4-fluorobenzylamine is employed to react with 1-(2-nitrophenyl)pyrrole derivatives to synthesize the corresponding pyrrolo[1,2-a]quinoxaline derivatives.1