Phenethyl isocyanate (HCID 160602)

개요

2-phenylethyl isocyanate is an isocyanate having a 2-phenylethyl group attached to the nitrogen. It has a role as a hapten.

이름 및 식별자

우선 이름: Phenethyl isocyanate
IUPAC: 2-isocyanatoethylbenzene
영어명: Phenethyl isocyanate
분자식: C9H9NO
분자량: 147.17

이름 및 동의어

Phenethyl isocyanate1943-82-4(2-Isocyanatoethyl)benzenePhenylethyl isocyanate2-PhenylethylisocyanateW78MJV7AIADTXSID10173052RefChem:478171DTXCID5095543413-080-0628-135-62-Phenylethyl Isocyanate

이름 더 보기

Phenethyl isocyatePhenethylIsocyanate>Glimepiride Impurity 34Phenethyl isocyanate 98%2-Phenyltehyl isocyanatePhenethyl isocyanate,99%

2-isocyanatoethylbenzenePhenylethylisocyanateBenzene, (2-isocyanatoethyl)-MFCD00037044(2-Isocyanato-ethyl)-benzeneCHEBI:60067Phenethylisocyanate2-PHENETHYL ISOCYANATE

데이터베이스 식별자

CAS: 1943-82-4
PubChem CID: 160602
DTXSID: DTXSID10173052
ChEMBL: CHEMBL2074871
ChEBI: CHEBI:60067
UNII: W78MJV7AIA
EC Number: 413-080-0、628-135-6
Nikkaji: J683.455H

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 144

물리화학적 성질

끓는 점: 210 °C · 210 °C(lit.)
밀도: 1.063 g/mL · 1.063 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.522(lit.)
인화점: 212 °F · 212 °F
용해도: 에 용해됨클로로포름, 아세트산에틸 (약간 용해됨)
물리적 상태: 액체
Specific Gravity: 1.063 · 1.063
색상: 무색~황색
수용성: 물에서 분해되다
안정성: 수분에 민감한
InChI: InChI=1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey: HACRKYQRZABURO-UHFFFAOYSA-N
SMILES: C1(CCN=C=O)=CC=CC=C1

화학적 성질

colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 2건

Hazard Traits - Respiratory Toxicity

Status: Cease Manufacture Update: 19-02-2009 https://echa.europa.eu/registration-dossier/-/registered-dossier/13951

Hazard Classes and Categories · 4건

Acute Tox. 4 (100%)

Acute Tox. 4 (97.5%)

Skin corrosion - category 1A

Acute Tox. 3 *

안전 데이터

wgk: 2
ridadr: UN 2206 6.1/PG 3
HS 번호: 29291090
risk_code: 22-23-35-42/43-51/53-25
hazard_code: T,C,N
safety_code: 23-26-36/37/39-43-45-61-43A
포장분류: III
위험 등급: IRRITANT
위험 참고 사항: Toxic/Corrosive
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 4 OralAquatic Chronic 2Resp. Sens. 1Skin Corr. 1ASkin Sens. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects