3-Amino-4-chloroindazole

HCID 313444
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Basic information

CAS
20925-60-4
Standard SMILES
Nc1n[nH]c2cccc(Cl)c12
InChIKey
QPLXQNVPEHUPTR-UHFFFAOYSA-N
Molecular formula
C7H6ClN3
Average molar mass
167.59 g/mol
Monoisotopic mass
167.02502487

Overview

4-chloro-1H-indazol-3-amine is a member of indazoles.

Names & identifiers

Preferred name
3-Amino-4-chloroindazole
IUPAC
4-chloro-1H-indazol-3-amine
English name
4-Chloro-1H-indazol-3-amine
Molecular formula
C7H6ClN3
Molecular weight
167.6

Names & synonyms

3-amino-4-chloroindazoleRefChem:497255692-543-04-chloro-1H-indazol-3-amine20925-60-43-Amino-4-chloro-1H-indazoleMFCD006631391H-Indazol-3-amine, 4-chloro1H-Indazol-3-amine, 4-chloro-4-chloro-1H-indazole-3-amine4-chloranyl-1~{H}-indazol-3-amine4-chloro-1H-indazol-3-ylamine
Show more names
4-Chloro-2H-indazol-3-ylamine3-Amino-4-chloro-1H-indazole,97%1H-Indazol-3-aMine, 4-chloro-Mes3-Amino-4-chloro-1H-indazole 95%
EQTNSC2273863-amino4-chloroindazoleOprea1_798817MLS000851258SCHEMBL1862804-chloro-1H-indazol-3-ylamiorb3030174

Database identifiers

CAS
20925-60-4
PubChem CID
313444
DTXSID
DTXSID80310477
ChEMBL
CHEMBL1333961
ChEBI
CHEBI:183661
EC Number
692-543-0
Nikkaji
J2.390.682A

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
54.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

LogP1.92
Solubility11 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
159 · 159-162
Boiling point
408.7 · 408.7±25.0 °C(Predicted)
Density
1.533 · 1.533±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
13.72 · 13.72±0.40(Predicted)
InChI
InChI=1S/C7H6ClN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H3,9,10,11)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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. 3 (100%)

Safety data

hs_code
29339900
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
24/25
hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Suppliers77 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]

Additional notes

DefinitionChEBI: 4-chloro-1H-indazol-3-amine is a member of indazoles.

Related reactions

34 records
New reaction record

Compound notes

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