Phenylsulphonyl isocyanate

HCID 76096CAS 2845-62-7

기본 정보

표준 SMILES: O=C=NS(=O)(=O)c1ccccc1
InChIKey: UJYAZVSPFMJCLW-UHFFFAOYSA-N
분자식: C7H5NO3S
평균 분자량: 183.19 g/mol
단동위원소 질량: 182.99901402

이름 및 식별자

우선 이름: Phenylsulphonyl isocyanate
IUPAC: N-(oxomethylidene)benzenesulfonamide
영어명: BENZENESULFONYL ISOCYANATE
분자식: C7H5NO3S
분자량: 183.18

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 72 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 278

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 130 °C9 · 130 °C9 mm Hg(lit.)
밀도: 1.369 g/mL · 1.369 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.536(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 2 O, · sol chlorinated, aromatic, and ethereal solvents; reacts violently with H2O, basic and protic solvents.
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
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

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

안전 데이터

wgk: 3
ridadr: UN 2922 8/PG 1
HS 번호: 29291000
risk_code: 20/22-36/38-42
hazard_code: Xn
safety_code: 23-26-36
포장분류: II
위험 등급: 6.1
F 고인화성물질: 10-19-21
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도Benzenesulfonyl 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.

일반 설명Benzenesulfonyl isocyanate reacts with ethanol and phenol to yield normal urethan products.