2-Bromo-4,6-Difluoroaniline (HCID 136285)

Names & identifiers

Preferred name: 2-Bromo-4,6-Difluoroaniline
IUPAC: 2-bromo-4,6-difluoroaniline
English name: 2-Bromo-4,6-difluoroaniline
Molecular formula: C6H4BrF2N
Molecular weight: 208

Names & synonyms

2-Bromo-4,6-DifluoroanilineWUJKFVGKLTWVSQ-UHFFFAOYSA-DTXSID00196154EC 429-430-0NSC 93389RefChem:466393DTXCID10118645429-430-0610-183-4InChI=1/C6H4BrF2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2444-14-42,4-difluoro-6-bromoaniline

Show more names

2-Bromo-4,6-difLAKOS BBS-000036572-Bromo-4,6-difluoro2-BroMo-4,6-difluoraniline2-BroMo-4.6-2-fluoroaniline4,6-Difluoro-2-bromoaniline6-BROMO-2,4-DIFLUOROANILINE2-Bromo-4,6-difluoroaniline98%

MFCD000096392-bromo-4,6-difluorophenylamineBenzenamine, 2-bromo-4,6-difluoro-2-bromo-4,6-difluoro-anilineNSC933892-Bromo4,6-difluoroanilineNCIOpen2_005827SCHEMBL78688

Database identifiers

CAS: 444-14-4
PubChem CID: 136285
DTXSID: DTXSID00196154
EC Number: 429-430-0、610-183-4
Nikkaji: J208.137G

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Physicochemical properties

Melting point: 41 · 41-42 °C (lit.)
Boiling point: 208 · 208.0±35.0 °C(Predicted)
Density: 1.6953 · 1.6953 (rough estimate)
refractive index: 1.532 · 1.5320 (estimate)
Flash point: 177 °F · 177 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 1.2 · 1.20±0.10(Predicted)
color: White to Green to Brown
Water Solubility: Insoluble in water.
BRN: 2718139 · 2718139
InChI: InChI=1S/C6H4BrF2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
InChIKey: WUJKFVGKLTWVSQ-UHFFFAOYSA-N
SMILES: C1(N)=C(F)C=C(F)C=C1Br
CAS DataBase Reference: 444 · 444-14-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335-H411
Precautionary statements: 273 · P273-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi,N
Risk Statements: 20 · 20/21/22-36/37/38-51/53-22
Safety Statements: 26 · 26-36-36/37/39-61-25
RIDADR: 1325 · UN 1325 4.1/PG 2
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 9 · 9
PackingGroup: III
HS Code: 29214200 · 29214200
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Warning

H302+H312+H332 (86.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8473

Hazard Classes and Categories · 4 items

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29214200
risk_code: 20/21/22-36/37/38-51/53-22
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xn,Xi,N
hazard_note: Irritant
safety_code: 26-36-36/37/39-61-25
hazard_class: 9
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335-H411
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P273-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338