3-Isothiocyanatobenzonitrile
-
3-Isothiocyanatobenzonitrile
structure -
-
CAS No:
3125-78-8
-
Formula:
C8H4N2S
-
Chemical Name:
3-Isothiocyanatobenzonitrile
-
Synonyms:
Benzonitrile,3-isothiocyanato-;Isothiocyanic acid,m-cyanophenyl ester;3-Isothiocyanatobenzonitrile;m-Cyanophenyl isothiocyanate;3-Cyanophenyl isothiocyanate
- Categories:
-
CAS No:
Characteristics
68.2
2.29258
1.12g/cm3
64-66 °C(lit.)
303.1ºC at 760mmHg
137.1ºC
1.604
102.7mg/L(25 ºC)
Keep Cold
Safety Information
III
8
UN 1759 8/PG 3
3
20/21/22-34-42
22-26-36/37/39-45
C,T
P261-P280-P305 + P351 + P338-P310
H302-H312-H314-H317-H332-H334
|Danger|H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P280, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P342+P311, P363, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:160.20
XLogP3:3.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:160.00951931
Monoisotopic Mass:160.00951931
Topological Polar Surface Area:68.2
Heavy Atom Count:11
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
-
2-Bromophenacyl bromide, 90%
49851-55-0
-
1H-Indazol-7-ol
81382-46-9
-
6-Chloro-4-forMyl-nicotinic acid
1031433-06-3
-
3-Hydroxy-2,4,5-trifluorobenzoic acid Formula
116751-24-7
-
2-Methyl-1-heptene Formula
15870-10-7
-
1-(3,5-Dinitrophenyl)ethanone Formula
14401-75-3
-
α-Amino-3-bromobenzeneacetic acid Structure
79422-73-4
-
6-(BROMOMETHYL)-1,3-BENZOTHIAZOLE,97% Structure
499770-85-3
-
What is ethyl 5-hydroxy-2-Methylnicotinate
60390-47-8
-
What is 2-bromo-1-(4-bromo-3-fluorophenyl)ethanone
1003879-02-4