3-Chloro-1H-indazole

HCID 95894CAS 29110-74-5
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1[nH]nc2ccccc12
InChIKey
QPHAGNNWDZSKJH-UHFFFAOYSA-N
Molecular formula
C7H5ClN2
Average molar mass
152.584 g/mol
Monoisotopic mass
152.01412584

Names & identifiers

Preferred name
3-Chloro-1H-indazole
IUPAC
3-Chloro-2H-indazole
English name
3-Chloro-1H-indazole
Molecular formula
C7H5ClN2
Molecular weight
152.58

Names & synonyms

3-CHLOROINDAZOLETIMTEC-BB SBB0040513-Chloro-1H-indazole3-chloro-2H-indazole3-Chloroindazole 97%1H-Indazole, 3-chloro-3-Chloro-1H-indazole,99%3-CHLORO-1H-INDAZOLE 99%3-Chloro-1H-Indazole,>97%

Database identifiers

CAS
29110-74-5
PubChem CID
95894
DTXSID
DTXSID60183363
ChEMBL
CHEMBL596385
UNII
UYV55A79UH
EC Number
249-444-9
Nikkaji
J1.724.124I、J250.768D

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
28.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Melting point
149 °C · 149 °C (subl.)(lit.)
Boiling point
250.67 °C · 250.67°C (rough estimate)
Density
1.2763 · 1.2763 (rough estimate)
refractive index
1.55 · 1.5500 (estimate)
storage temp.
Inert atmosphere,Room Temperature
pka
11.93 · 11.93±0.40(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29339980
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses3-Chloroindazole was used in the preparation of 3-chloro-1-(4′-methylphenyl)-indazole.

General Description3-Chloroindazole is an indazole bearing an electron withdrawing substituent.

Upstream & downstream products

Downstream products

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

20 records
New reaction record

Linked notes

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