CAS 698-25-9 6-chloro-1H-indazole (HCID 417524)

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Basic information

CAS: 698-25-9
Standard SMILES: Clc1ccc2cn[nH]c2c1
InChIKey: VUZQHUVRBPILAX-UHFFFAOYSA-N
Molecular formula: C7H5ClN2
Average molar mass: 152.58 g/mol
Monoisotopic mass: 152.0141259

Names & identifiers

Preferred name: 6-chloro-1H-indazole
IUPAC: 6-chloro-1H-indazole
English name: 6-Chloro-1H-indazole
Molecular formula: C7H5ClN2
Molecular weight: 152.58

Names & synonyms

6-Chloro-1H-indazole698-25-9DTXSID70329119RefChem:541428DTXCID20280221821-368-66-Chloroindazole1H-Indazole, 6-chloro-MFCD07774234NSC92743CHEMBL392184SCHEMBL3533806

Show more names

BUTTPARK 121\04-746-CHLORO (1H)INDAZOLE6-Chloro-1H-indazole, >95%6-chloro-1H-indazole(WXC03625)

6-Chloro-1H-indazole, AldrichCPRBDBM50209236NSC-92743CS-W005017PB34228PD182872SY040590EN300-107312

Database identifiers

CAS: 698-25-9
PubChem CID: 417524
DTXSID: DTXSID70329119
ChEMBL: CHEMBL392184
EC Number: 821-368-6
Nikkaji: J1.423.033E

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 129

Physicochemical properties

Melting point: 174 · 174-177℃
Boiling point: 309.5 · 309.5±15.0 °C(Predicted)
Density: 1.425 · 1.425±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 12.82 · 12.82±0.40(Predicted)
form: solid
Appearance: Light yellow to brown Solid
InChI: InChI=1S/C7H5ClN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
InChIKey: VUZQHUVRBPILAX-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(Cl)=C2)C=N1
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312a-P330-P501a
Hazard Codes: Xn

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

Aggregated GHS information provided per 4 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.