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2-Hydroxybenzonitrile

2-Hydroxybenzonitrile structure

CAS No:
611-20-1
Formula:
C7H5NO
Chemical Name:
2-Hydroxybenzonitrile
Synonyms:
Benzonitrile,2-hydroxy-;Salicylonitrile;2-Hydroxybenzonitrile;o-Hydroxybenzonitrile;o-Cyanophenol;2-Cyanophenol;Salicylnitrile;NSC 53558
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to light yellow crystal powder

2-Hydroxybenzonitrile Basic Attributes

Molecular Weight：

119.12

Exact Mass：

119.12

EC Number：

210-259-3

UNII：

51RSM8K1VZ

NSC Number：

53558

DSSTox ID：

DTXSID3041661

HScode：

2926909090

Characteristics

PSA：

XLogP3：

1.6

Appearance：

off-white to light brown powder

Density：

1.1052 g/cm³ @ Temp: 20 °C

Melting Point：

98 °C

Boiling Point：

149 °C

Flash Point：

109.6±22.6 °C

Refractive Index：

1.591

Water Solubility：

soluble

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

R22;R36/37/38

safety instructions：

S26-S36-S45

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents, strong bases.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Danger|H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 85 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-cyanophenol

2-Hydroxybenzonitrile Use and Manufacturing

Manufacturing Info：

Benzonitrile, 2-hydroxy-: ACTIVE

Computed Properties

Molecular Weight:119.12
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:119.037113783
Monoisotopic Mass:119.037113783
Topological Polar Surface Area:44
Heavy Atom Count:9
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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