1H-Indazole, 5-chloro-

HCID 69681

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Basic information

CAS: 698-26-0
Standard SMILES: Clc1ccc2[nH]ncc2c1
InChIKey: FVNCILPDWNBPLK-UHFFFAOYSA-N
Molecular formula: C7H5ClN2
Average molar mass: 152.58 g/mol
Monoisotopic mass: 152.0141259

Names & identifiers

Preferred name: 1H-Indazole, 5-chloro-
IUPAC: 5-chloro-1H-indazole
English name: 5-Chloro (1H)indazole
Molecular formula: C7H5ClN2
Molecular weight: 152.58

Names & synonyms

5-Chloro-1H-indazole1H-Indazole, 5-chloro-5-ChloroindazoleEINECS 211-812-1NSC 78434BRN 00032605-23-06-00175 (Beilstein Handbook Reference)DTXSID70220091RefChem:79838DTXCID70142582211-812-1FVNCILPDWNBPLK-UHFFFAOYSA-N

Show more names

5-chloro-1h-indazol5-chloro-3a,7a-dihydro-1H-indazole5-chloro-1H-indazole(SALTDATA: FREE)

698-26-0MFCD000227855-CHLORO INDAZOLE5-CHLORO (1H)INDAZOLECHEMBL2467465-chloro-2H-indazoleNSC78434A1EGB

Database identifiers

CAS: 698-26-0
PubChem CID: 69681
DTXSID: DTXSID70220091
ChEMBL: CHEMBL246746
EC Number: 211-812-1
Nikkaji: J41.009H

Properties

Computed structural properties

XLogP: 2.8
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: 119 · 119-120 °C(Solv: water (7732-18-5))
Boiling point: 309.5 · 309.5±15.0 °C(Predicted)
Density: 1.425 · 1.425±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 12.81 · 12.81±0.40(Predicted)
Appearance: Light yellow to orange Solid
InChI: 1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKey: FVNCILPDWNBPLK-UHFFFAOYSA-N
SMILES: Clc1ccc2[nH]ncc2c1
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

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 2 reports by companies from 2 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.