CAS 89999-90-6 2-Chloro-6-hydroxybenzonitrile (HCID 4407995)

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Basic information

CAS: 89999-90-6
Standard SMILES: N#Cc1c(O)cccc1Cl
InChIKey: QAZAWPCTVDEZCT-UHFFFAOYSA-N
Molecular formula: C7H4ClNO
Average molar mass: 153.56 g/mol
Monoisotopic mass: 152.99814143

Names & identifiers

Preferred name: 2-Chloro-6-hydroxybenzonitrile
IUPAC: 2-chloro-6-hydroxybenzonitrile
English name: 2-CHLORO-6-HYDROXYBENZONITRILE
Molecular formula: C7H4ClNO
Molecular weight: 153.57

Names & synonyms

2-chloro-6-hydroxybenzonitrile89999-90-6DTXSID40402948RefChem:259110DTXCID20353803807-685-2MFCD01646165Benzonitrile, 2-chloro-6-hydroxy-2-chloro-6-hydroxy-benzonitrile3-CHLORO-2-CYANOPHENOL2-cyano-3-chlorophenolorb3030040

Show more names

2-Chloro-6-hydroxybenzoni...2-Hydroxy-6-chlorobenzonitrile2-Chloro-6-hydroxybenzonitrile, 97+%

SCHEMBL2336330SCHEMBL3256269QAZAWPCTVDEZCT-UHFFFAOYSA-NFr144322-chloro-6-hydroxybenzenecarbonitrileCL8890SBB086946AKOS005255027

Database identifiers

CAS: 89999-90-6
PubChem CID: 4407995
DTXSID: DTXSID40402948
EC Number: 807-685-2
Nikkaji: J3.351.730K

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 44 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 162

Physicochemical properties

Melting point: 162 · 162-164℃
Boiling point: 296.2 · 296.2±25.0 °C(Predicted)
Density: 1.41 · 1.41
storage temp.: Sealed in dry,Room Temperature
pka: 6.2 · 6.20±0.10(Predicted)
Appearance: White to off-white Solid
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: 20 · 20/21/22-36/37/38
Safety Statements: 22 · 22-26-36/37/39
RIDADR: 2811 · UN2811
HS Code: 2926907090 · 2926907090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, 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)

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.