4-Chloro-3-(pyridin-2-yl)aniline

HCID 40151925CAS 879088-41-2
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(Cl)c(-c2ccccn2)c1
InChIKey
QWVLHTCIAZPQAY-UHFFFAOYSA-N
Molecular formula
C11H9ClN2
Average molar mass
204.65 g/mol
Monoisotopic mass
204.04542597

Names & identifiers

Preferred name
4-Chloro-3-(pyridin-2-yl)aniline
IUPAC
4-chloro-3-pyridin-2-ylaniline
English name
4-chloro-3-(pyridin-2-yl)aniline
Molecular formula
C11H9ClN2
Molecular weight
204.66

Names & synonyms

4-CHLORO-3-(PYRIDIN-2-YL)ANILINE879088-41-2DTXSID20653956RefChem:521251DTXCID20604706959-415-94-chloro-3-(pyridin-2-yl)benzenamine4-chloro-3-pyridin-2-ylaniline4-chloro-3-(2-pyridinyl)BenzenamineMFCD12024455Benzenamine, 4-chloro-3-(2-pyridinyl)-4-chloro-3-(2-pyridyl)aniline
Show more names
115. VismodegibVismodegib Impurity 94-CHLORO-3-(PYIDIN-2-YL)ANILINE4-chloro-3-(2-pyridinyl)aniline
4-chloro-3-(pyridine-2-yl)aniline4-Chloro-3-(2-pyridyl)aniline;chloro-3-(pyridin-2-yl)anilineVismodegib Impurity 307K33JWZ84NSCHEMBL1016812SCHEMBL30572342QWVLHTCIAZPQAY-UHFFFAOYSA-N

Database identifiers

CAS
879088-41-2
PubChem CID
40151925
DTXSID
DTXSID20653956
UNII
7K33JWZ84N
EC Number
959-415-9
Nikkaji
J3.770.945J

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
38.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Melting point
132 · 132 - 135°C
Boiling point
368.5 · 368.5±32.0 °C(Predicted)
Density
1.261 · 1.261±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
Dichloromethane (Slightly), Ethyl Acetate (Slightly)
pka
4.24 · 4.24±0.24(Predicted)

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, 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.

Safety data

Signal word
Danger
Symbol(GHS)
GHS05
Hazard statements
H314
Precautionary statements
P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501

Chemistry & industry

Applications

Uses4-Chloro-3-(2-pyridinyl)benzenamine is a useful reagent for preparing smoothened (Smo) antagonists. Smo is an integral membrane protein involved with Hedgehog signaling.

Upstream & downstream products

Suppliers50 total

济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

407 records
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Linked notes

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