2-Chloro-3,6-difluorobenzylamine

HCID 2773545

Notes Reactions

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Basic information

CAS: 261762-45-2
Standard SMILES: NCc1c(F)ccc(F)c1Cl
InChIKey: KDAQEMQCJMFSEP-UHFFFAOYSA-N
Molecular formula: C7H6ClF2N
Average molar mass: 177.58 g/mol
Monoisotopic mass: 177.01568331

Names & identifiers

Preferred name: 2-Chloro-3,6-difluorobenzylamine
IUPAC: (2-chloro-3,6-difluorophenyl)methanamine
English name: 2-CHLORO-3,6-DIFLUOROBENZYLAMINE
Molecular formula: C7H6ClF2N
Molecular weight: 177.58

Names & synonyms

2-Chloro-3,6-difluorobenzylamine261762-45-2(2-chloro-3,6-difluorophenyl)methanamineBenzenemethanamine, 2-chloro-3,6-difluoro-MFCD01631449(2-chloro-3,6-difluoro-phenyl)methanamine1-(2-CHLORO-3,6-DIFLUOROPHENYL)METHANAMINE(2-chloro-3,6-difluorophenyl)methylamine2-Chloro-3,6-difluoro-benzylamineSCHEMBL856873DTXSID90378543KDAQEMQCJMFSEP-UHFFFAOYSA-N

Show more names

2-Chloro-3,6-difluorobenzylamine97%2-Chloro-3,6-difluorobenzylamine 97%2-Chloro-3,6-difluorobenzenemethanamine

SBB089329AKOS006229989JS-4200DB-046864CS-0267873ST50408429EN300-1984652F005598

Database identifiers

CAS: 261762-45-2
PubChem CID: 2773545
DTXSID: DTXSID90378543
EC Number: 670-785-8

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 134

Physicochemical properties

Boiling point: 210.3 · 210.3±35.0 °C(Predicted)
Density: 1.368 · 1.368±0.06 g/cm3(Predicted)
refractive index: 1.52 · 1.52
form: liquid
pka: 7.83 · 7.83±0.10(Predicted)
color: Clear, colourless
Sensitive: Air Sensitive
CAS DataBase Reference: 261762 · 261762-45-2(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 · 26-36/37/39-45
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 5 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: 26-36/37/39-45
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