 Home > Encyclopedia > 2-CYANOBENZOICACID

2-CYANOBENZOICACID

2-CYANOBENZOICACID structure

CAS No:
3839-22-3
Formula:
C8H5NO2
Chemical Name:
2-CYANOBENZOICACID
Synonyms:
NSC193443;TIMTEC-BBSBB008461;O-CYANOBENZOICACID;RARECHEMALBE0698;2-CYANOBENZOICACID;2-CARBOXYBENZONITRILE;o-Carboxybenzonitrile;Benzoicacid,2-cyano-;2-Cyanobenzoicacid,97%;Benzoicacid,2-cyano-(9CI)
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Request for Quotation

Description

Off-white needles

2-CYANOBENZOICACID Basic Attributes

Molecular Weight：

147.131

Exact Mass：

147.032028

NSC Number：

193443

DSSTox ID：

DTXSID70191732

HScode：

2926909090

Characteristics

PSA：

61.09000

XLogP3：

1.10

Density：

1.3±0.1 g/cm3

Melting Point：

212 °C(lit.)

Boiling Point：

341.9±25.0 °C at 760 mmHg

Flash Point：

160.5±23.2 °C

Refractive Index：

1.592

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S26-S36/37/39

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302+H312+H332 (14.29%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:147.13
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:147.032028402
Monoisotopic Mass:147.032028402
Topological Polar Surface Area:61.1
Heavy Atom Count:11
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-CYANOBENZOICACID

Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of fine chemicals,pharmaceutical materials

2-CYANOBENZOIC ACID

CAS No.: 3839-22-3

Grade: industrial Grade

Content: 98%

Inquiry