2,5-Difluoroaniline (HCID 67775)

Names & identifiers

Preferred name: 2,5-Difluoroaniline
IUPAC: 2,5-difluoroaniline
English name: 2,5-Difluoroaniline
Molecular formula: C6H5F2N
Molecular weight: 129.11

Names & synonyms

2,5-Difluoroaniline367-30-6Benzenamine, 2,5-difluoro-2,5-difluorobenzenamineAI3-526372,5-difluoroaminobenzeneNSC-32594JNJ8ZZ368DTXSID70190144RefChem:82842DTXCID80112635206-690-1

Show more names

Difluoroaniline32,5-Difluoranilin2,5-Difluoroaniline,98%2,5-Difluoroaniline 98%2,5-Difluoroaniline,99%2,5-Difluoroaniline >

2,5-difluoro-anilineMFCD000076512.5-difluoroanilineAniline, 2,5-difluoro-EINECS 206-690-1Aniline,5-difluoro-2,5-difluorophenylamineBenzenamine,5-difluoro-

Database identifiers

CAS: 367-30-6
PubChem CID: 67775
DTXSID: DTXSID70190144
UNII: 4JNJ8ZZ368
EC Number: 206-690-1
Nikkaji: J79.604B

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97

Physicochemical properties

Melting point: 11 · 11-13 °C (lit.)
Boiling point: 176 · 176-178 °C (lit.)
Density: 1.288 g/mL · 1.288 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.513(lit.)
Flash point: 156 °F · 156 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 2.19 · 2.19±0.10(Predicted)
form: clear liquid
color: Colorless to Yellow to Orange
Specific Gravity: 1.29 · 1.29
Water Solubility: Not miscible in water.
BRN: 2802549 · 2802549
InChI: InChI=1S/C6H5F2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKey: YNOOQIUSYGWMSS-UHFFFAOYSA-N
SMILES: C1(N)=CC(F)=CC=C1F
CAS DataBase Reference: 367 · 367-30-6(CAS DataBase Reference)
FDA UNII: 4 JNJ8ZZ368 · 4JNJ8ZZ368
NIST Chemistry Reference: 2 · Benzenamine, 2,5-difluoro-(367-30-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H317
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 28 · 28-36/37/39-26-36
RIDADR: 2941 · 2941
WGK Germany: 3 · 3
F: 8 · 8-10-23
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29214210 · 29214210
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralSkin Sens. 1
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

Safety data

F: 8-10-23
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: 2941
hs_code: 29214210
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 28-36/37/39-26-36
hazard_class: 6.1
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H302+H312+H332-H317
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: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralSkin Sens. 1
Precautionary statements: P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312

Chemistry & industry

Applications · 1 item

Uses2,5-Difluoroaniline was used in the synthesis of 2,4-di-tert-butyl-6-[(2,5-difluorophenyl)iminomethyl]phenol. It was also used in ultrasound-assisted preparation of 1,4-diazabutadienes. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.

Upstream & downstream products

Upstream raw materials

Downstream products

4-Bromo-2,5-difluorobenzenesulfonyl chloride 2,5-Difluoronitrobenzene 2,5-Difluorophenol 4-Bromo-2,5-difluoroiodobenzene 4,7-Difluoroisatin 2,5-Difluoroiodobenzene 2,5-Difluorophenylene-1,4-diamine, 1,4-Diamino-2,5-difluorobenzene ethyl 2-(2,5-difluoroanilino)-2-oxoacetate 5-Bromo-4,7-difluoro-1H-indazole-3-carboxylic acid N-(2,5-Difluoro-phenyl)-forMaMide

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Related reactions

109 records

New reaction record

HRID 4234As reactantuspto-grants-1988_02

HRID 47422As reactantuspto-grants-2004_03

HRID 47423As reactantuspto-grants-2004_03

HRID 48074As reactantuspto-grants-2004_03

HRID 49018As reactantuspto-grants-2004_03

HRID 63150As reactantuspto-grants-2016_09

HRID 76993As reactantuspto-grants-2014_09

HRID 87555As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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Basic information