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Isocyanobenzene

CAS No.
931-54-4
Chemical Name:
Isocyanobenzene
Synonyms
1-ISOCYANOBENZENE;Isocyanobenzene;Benzoisonitrile;PHENYLISOCYANIDE;Phenyl isonitrile;Phenyl carbylamine;Benzene, isocyano-;PHENYL ISOCYANIDE (1-ISOCYANOBENZENE)
CBNumber:
CB3382268
Molecular Formula:
C7H5N
Molecular Weight:
103.12
MDL Number:
MFCD05148520
MOL File:
931-54-4.mol
MSDS File:
SDS
Last updated:2026-09-12 18:52:01

Isocyanobenzene Properties

Boiling point 183.35°C (rough estimate)
Density 1.0248 (rough estimate)
refractive index 1.6760 (estimate)
solubility Chloroform (Soluble), Methanol (Slightly)
form Oil to Thick Oil
color Very Dark Red to Black

SAFETY

Risk and Safety Statements

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H331-H301-H311
Precautionary statements  P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Risk Statements  20/21/22
Safety Statements  26-36/37/39
RIDADR  UN 1672 6.1/ PGI
HazardClass  6.1
PackingGroup  I
Limited Quantities 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Isocyanobenzene price More Price(19)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TRC TRC-I809010-5G Isocyanobenzene 931-54-4 5g $730 2026-06-03 Buy
TRC TRC-I809010-2.5G Isocyanobenzene 931-54-4 2.5g $371 2026-06-03 Buy
TRC TRC-I809010-1G Isocyanobenzene 931-54-4 1g $163 2026-06-03 Buy
Matrix Scientific 203585 Isocyanobenzene 931-54-4 50.00g $75 2026-05-18 Buy
Matrix Scientific 203585 Isocyanobenzene 931-54-4 100.00g $127 2026-05-18 Buy
Product number Packaging Price Buy
TRC-I809010-5G 5g $730 Buy
TRC-I809010-2.5G 2.5g $371 Buy
TRC-I809010-1G 1g $163 Buy
203585 50.00g $75 Buy
203585 100.00g $127 Buy

Isocyanobenzene Chemical Properties,Uses,Production

Uses

Isocyanobenzene is used in the study of the inhibition mechanism of reconstituted cytochrome p-450scc-linked monooxygenase system by antimycotic reagent and other inhibitors.

Preparation

To a flask containing 7.9 gm (0.33 mole) of sodium hydride in 100 ml of tetrahydrofuran is slowly added a mixture of 9.3 gm (0.1 mole) of aniline and 25.3 gm (0.10 mole) of bromoform. After the addition, the reaction is stirred for 1-2 hr at room temperature, and water is added (100 ml) dropwise. Ether (200 ml) is added and the ether layer washed four times with 50-ml portions of water, three times with 20-ml portions of dilute hydrochloric acid, and then with water. The resulting ether layer is dried over sodium sulfate, concentrated, and the residue distilled to afford 4.7 gm (45%), b.p. 52-53°C (13 mm Hg).
Preparation of Phenyl Isonitrile

Definition

ChEBI: Phenyl isocyanide is an isocyanide.

Precautions

Should be used freshly distilled. Foul smelling liquid; should be stored and used in a fume hood. Contaminated equipment should be washed with 5% methanolic sulfuric acid.

References

1. For general reviews on isocyanide chemistry, see: (a) Isonitrile Chemistry; Ugi, I., Ed.; Academic: New York, 1971. (b) Periasamy, M. P.; Walborsky, H. M. OPP 1979, 11, 295.
2. For applications in heterocyclic synthesis, see: Marcaccini, S.; Torroba, T. OPP 1993, 25, 141.
3. (a) Grundmann, C. CB 1958, 91, 1380. (b) Ugi, I.; Meyr, R. OS 1961, 41, 101. (c) Obrecht, R.; Herrmann, R.; Ugi, I. S 1985, 400.
4. Figueroa-Villar, J. D.; Carnieiro, C. L.; Cruz, E. R. H 1992, 34, 891

Isocyanobenzene Preparation Products And Raw materials

Raw materials

Preparation Products

Isocyanobenzene Suppliers

Global( 65)Suppliers
Supplier Tel Email Country ProdList Advantage
Zhengzhou Kingsfine Chemical Co., Ltd. 0371-56635027 13838252817 sales@kingsfine.com China 100 62
Hangzhou Sage Chemical Co., Ltd. +86057186818502 13588463833 info@sagechem.com China 10265 58
Finetech Industry Limited 027-87465837 19945049750 sales@finetechnology-ind.com China 9331 58
Shanghai Macklin Biochemical Co.,Ltd. 15221275939 15221275939 shenlinxing@macklin.cn China 15775 55
Hangzhou J&H Chemical Co., Ltd. 0571-87396432 sales@jhechem.com China 14905 59
Shanghai Qiao Chemical Science Co., Ltd 021-58892003 info@qiaochem.com China 6065 65
Yantai ShengKailun Chemical Technology Co., Ltd. 13356901049 3119594100@qq.com China 7964 55
Aikon International Limited 025-66113011 19370895928 qzhang@aikonchem.com China 15390 58
Shandong utilizing biological technology co., LTD 18669728830 15966937598 3407650895@qq.com China 5157 58
Shaanxi Dideu Medichem Co. Ltd +86-29-81139210 +86-17392587031 1059@dideu.com China 9983 58
PHENYLISOCYANIDE Phenyl isonitrile Phenyl carbylamine Benzoisonitrile Benzene, isocyano- PHENYL ISOCYANIDE (1-ISOCYANOBENZENE) 1-ISOCYANOBENZENE Isocyanobenzene 931-54-4 913-54-4 C6H5NC