CAS 7116-16-7 4-Chloro-2,1,3-benzoxadiazole (HCID 592984)

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Basic information

CAS: 7116-16-7
Standard SMILES: Clc1cccc2nonc12
InChIKey: YLEBWUGKYMZPQQ-UHFFFAOYSA-N
Molecular formula: C6H3ClN2O
Average molar mass: 154.55 g/mol
Monoisotopic mass: 153.9933904

Names & identifiers

Preferred name: 4-Chloro-2,1,3-benzoxadiazole
IUPAC: 4-chloro-2,1,3-benzoxadiazole
English name: 4-Chlorobenzofurazan
Molecular formula: C6H3ClN2O
Molecular weight: 154.55

Names & synonyms

4-Chloro-2,1,3-benzoxadiazoleRefChem:520827829-557-54-Chlorobenzofurazan7116-16-74-chlorobenzo[c][1,2,5]oxadiazoleMFCD00191329Benzofurazan, 4-chloro-SCHEMBL1028835SCHEMBL3255008SCHEMBL3893783SCHEMBL14660730

Show more names

Chlorobenzofurazan4-Chlorobenzofurazane4-CHLOROBENZOFURAZAN 98+%4-chloro-2,1,3-benzoxodiazole2,1,3-Benzoxadiazole, 4-chloro-4-Chloro-2,1,3-benzoxadiazole >

DTXSID303438967-chloro-[2,1,3]benzoxadiazole4-chloro-benzo[1,2,5]oxadiazole4-Chloro-2,1,3-benzoxadiazole #4-chlorobenzo[c]1,2,5-oxadiazoleSTK780007AKOS005619105CCG-321567

Database identifiers

CAS: 7116-16-7
PubChem CID: 592984
DTXSID: DTXSID30343896
EC Number: 829-557-5
Nikkaji: J130.579D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 133

Physicochemical properties

Melting point: 82 °C · 82°C
Boiling point: 230.3 · 230.3±32.0 °C(Predicted)
Density: 1.475 · 1.475±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
solubility: almost transparency in Methanol
form: powder to crystal
pka: -1.92 · -1.92±0.45(Predicted)
color: White to Light yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-24/25
HS Code: 29349990 · 29349990

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.