3-Chloro-4-(difluoromethoxy)aniline

HCID 2064153
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Basic information

CAS
39211-55-7
Standard SMILES
Nc1ccc(OC(F)F)c(Cl)c1
InChIKey
SECIIRUYYUOYEN-UHFFFAOYSA-N
Molecular formula
C7H6ClF2NO
Average molar mass
193.58 g/mol
Monoisotopic mass
193.01059793

Names & identifiers

Preferred name
3-Chloro-4-(difluoromethoxy)aniline
IUPAC
3-chloro-4-(difluoromethoxy)aniline
English name
3-Chloro-4-difluoromethoxy-phenylamine
Molecular formula
C7H6ClF2NO
Molecular weight
193.58

Names & synonyms

3-chloro-4-(difluoromethoxy)aniline39211-55-7DTXSID00366431RefChem:278267DTXCID70317470842-977-33-Chloro-4-difluoromethoxy-phenylamineMFCD027245584-(difluoromethoxy)-3-chlorophenylamine3-chloro-4-difluoromethoxyanilineSCHEMBL3649852ALBB-001488
Show more names
AKOS B014390ART-CHEM-BB B0143903-Chloro-4-(difluoroMethoxy)aniline, HClBenzenamine, 3-chloro-4-(difluoromethoxy)-
BBL039704SBB020884STK349181AKOS000122179SB855283-Chloro-4-(difluoromethoxy)benzenamineDA-42548LS-01133

Database identifiers

CAS
39211-55-7
PubChem CID
2064153
DTXSID
DTXSID00366431
EC Number
842-977-3

Properties

Computed structural properties

XLogP
3
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Boiling point
265.3 · 265.3±35.0 °C(Predicted)
Density
1.393 · 1.393±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
3.09 · 3.09±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H302-H315-H319
Precautionary statements
P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Chemistry & industry

Upstream & downstream products

Suppliers14 total

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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