Phenylsulphonyl isocyanate (HCID 76096)

名称と識別子

優先名称: Phenylsulphonyl isocyanate
IUPAC: N-(oxomethylidene)benzenesulfonamide
現地名: ベンゼンスルホニルイソシアナート
英語名: BENZENESULFONYL ISOCYANATE
分子式: C7H5NO3S
分子量: 183.18

名称と別名

Phenylsulphonyl isocyanateEINECS 220-640-6DTXSID50182648RefChem:861831DTXCID90105139220-640-6Benzenesulfonyl isocyanate2845-62-7phenylsulfonylisocyanateBenzenesulfonylisocyanateN-(oxomethylidene)benzenesulfonamidebenzenesulphonylisocyanate

名称をさらに表示

ベンゼンスルホニルイソシアナート(フェニルスルホニル)イソシアナートイソシアナトスルホニルベンゼンフェニルスルホニルイソシアナート(イソシアナトスルホニル)ベンゼンイソシアン酸ベンゼンスルホニルベンゼンスルホニルイソシアナートイソシアン酸ベンゼンスルホニル, 95%IsocyanatosulfonylbenzenePhenylsulfonyl isocyanate.BENZENESULPHONYL ISOCYANATE(Isocyanatosulfonyl)benzeneBenzenesulfonyl isocyanate,95%Benzenesulfonyl isocyanate 95%Benzenesulfonyl Isocyanate >Benzenesulfonyl isocyanate, 98+%

phenyl sulfonyl isocyanateMFCD00007546benzene sulphonyl isocyanateSCHEMBL7211Benzenesulfonyl isocyanate, 95%AKOS005206912Benzene sulfonyl isocyanatePhenyl sulphonyl isocyanate

データベース識別子

CAS: 2845-62-7
PubChem CID: 76096
DTXSID: DTXSID50182648
EC Number: 220-640-6
Nikkaji: J236.285F

物性

構造計算による物性

XLogP: 2.3
極性表面積: 72 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 278

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

物理化学的性質

沸点: 130 °C9 · 130 °C9 mm Hg(lit.)
比重(密度): 1.369 g/mL · 1.369 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.536(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
溶解性: 2 O, · sol chlorinated, aromatic, and ethereal solvents; reacts violently with H2O, basic and protic solvents.
外見: clear liquid
色: Colorless to Almost colorless
BRN: 743441 · 743441
InChI: 1S/C7H5NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-5H
InChIKey: UJYAZVSPFMJCLW-UHFFFAOYSA-N
SMILES: O=C=NS(=O)(=O)c1ccccc1
CAS データベース: 2845 · 2845-62-7(CAS DataBase Reference)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

安全データ

F: 10-19-21
wgk: 3
ridadr: UN 2922 8/PG 1
hs_code: 29291000
risk_code: 20/22-36/38-42
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 23-26-36
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用Benzenesulfonyl isocyanate was used in synthesis of sterically hindered derivatives of phenols and alcohols. It was also used in the reaction of semi crystalline poly(ether ether ketone) films with carbonyl selective reagents to produce modified film samples.

一般的な説明Benzenesulfonyl isocyanate reacts with ethanol and phenol to yield normal urethan products.