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3,4-Difluoroaniline

3,4-Difluoroaniline structure

CAS No:
3863-11-4
Formula:
C6H5F2N
Chemical Name:
3,4-Difluoroaniline
Synonyms:
Benzenamine,3,4-difluoro-;Aniline,3,4-difluoro-;3,4-Difluorobenzenamine;3,4-Difluoroaniline;NSC 10296;4,5-Difluoroaniline;3,4-Difluorophenylamine
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

clear yellow to straw liquid after melting

3,4-Difluoroaniline Basic Attributes

Molecular Weight：

129.11

Exact Mass：

129.11

BRN：

971235

EC Number：

223-381-7

NSC Number：

10296

DSSTox ID：

DTXSID80191945

HScode：

29214200

Characteristics

PSA：

XLogP3：

1.6

Appearance：

clear liquid

Density：

1.3±0.1 g/cm3

Melting Point：

227-228 °C

Boiling Point：

77 °C @ Press: 7 Torr

Flash Point：

185 °F

Refractive Index：

1.521

Water Solubility：

H2O: SLIGHTLY soluble

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2941 6.1/PG 3

wgk germany：

hazard class code：

22-36/37/38-20/21/22

safety instructions：

26-36-36/37/39

RTECS Number：

CX9871900

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Danger|H302 (97.92%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P314, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,4-difluoroaniline

3,4-Difluoroaniline Use and Manufacturing

Used as pharmaceutical intermediate

Computed Properties

Molecular Weight:129.11
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:129.03900549
Monoisotopic Mass:129.03900549
Topological Polar Surface Area:26
Heavy Atom Count:9
Complexity:97.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 3863-11-4

Grade: Industrial Grade

Content: 99%

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