CAS 85118-06-5 2,5-Difluorobenzylamine (HCID 123589)

Names & identifiers

Preferred name: 2,5-Difluorobenzylamine
IUPAC: (2,5-difluorophenyl)methanamine
English name: 2,5-Difluorobenzylamine
Molecular formula: C7H7F2N
Molecular weight: 143.13

Names & synonyms

2,5-Difluorobenzylamine85118-06-5EINECS 285-658-92,5-DifluorobenzenemethanamineDTXSID20234244RefChem:444402DTXCID20156735285-658-9(2,5-Difluorophenyl)methanamine1-(2,5-difluorophenyl)methanamineBenzenemethanamine, 2,5-difluoro-2,5-difluorobenzyl amine

Show more names

TIMTEC-BB SBB006678RARECHEM AL BW 01472,5-Difluorobenzylam2,5-Difluorobenzylamine>2,5-Difluorobenzylamine97%2,5-Difluorobenzylamine 97%

MFCD000101432,5-difluoro-benzylamineSCHEMBL109496(2,5-difluorophenyl)methylamineSCHEMBL1679838V9H4C788NB2,5-Difluorobenzylamine, 97%SCHEMBL28079740

Database identifiers

CAS: 85118-06-5
PubChem CID: 123589
DTXSID: DTXSID20234244
UNII: V9H4C788NB
EC Number: 285-658-9
Nikkaji: J307.998H

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Boiling point: 76 · 76-78 °C (15 mmHg)
Density: 1.222 g/mL · 1.222 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.495(lit.)
Flash point: 168 °F · 168 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 8.38 · 8.38±0.10(Predicted)
form: Liquid
Specific Gravity: 1.222 · 1.222
color: Clear yellow
Sensitive: Air Sensitive
BRN: 3539280 · 3539280
InChI: 1S/C7H7F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKey: GDFBHCMFIUBEQT-UHFFFAOYSA-N
SMILES: NCc1cc(F)ccc1F
CAS DataBase Reference: 85118 · 85118-06-5(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2,5-Difluorobenzylamine(85118-06-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 227 · H227-H314-H318
Precautionary statements: 210 e-P260h-P303+P361+P353-P501a-P280-P305+P351+P338-P310-P210-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405-P501 · P210e-P260h-P303+P361+P353-P501a-P280-P305+P351+P338-P310-P210-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405-P501
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-36/37/39-45-25
RIDADR: 2735 · UN 2735 8/PG 3
WGK Germany: 3 · 3
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29214990 · 29214990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
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 48 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2735 8/PG 3
hs_code: 29214990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 26-27-36/37/39-45-25
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H227-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)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P210e-P260h-P303+P361+P353-P501a-P280-P305+P351+P338-P310-P210-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405-P501