Benzene, 1-ethoxy-2-isocyanato-

HCID 79374

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5395-71-1
표준 SMILES: CCOc1ccccc1N=C=O
InChIKey: BUIQXUQLYZPMLS-UHFFFAOYSA-N
분자식: C9H9NO2
평균 분자량: 163.17 g/mol
단동위원소 질량: 163.06332853

이름 및 식별자

우선 이름: Benzene, 1-ethoxy-2-isocyanato-
IUPAC: 1-ethoxy-2-isocyanatobenzene
영어명: 2-ETHOXYPHENYL ISOCYANATE
분자식: C9H9NO2
분자량: 163.17

이름 및 동의어

2-Ethoxyphenyl isocyanate5395-71-1o-Ethoxyphenyl isocyanateBenzene, 1-ethoxy-2-isocyanato-Isocyanic acid, o-ethoxyphenyl esterAI3-24266NSC 4144DTXSID8063832RefChem:562472DTXCID7041548625-560-91-Ethoxy-2-isocyanatobenzene

이름 더 보기

2-Isocyanatophenetole2-ETHOXYPHENYL ISOCYANYTE1-ethoxy-2-isocyanato-benzen1-Isocyanato-2-ethoxybenzene2-Ethoxyphenyl isocyanate,98%2-ETHOXYPHENYL ISOCYANATE 98%2-Ethoxyphenyl isocyanate-97%

MFCD00002007NSC-41442-ethoxybenzenisocyanate2-Ethoxyphenylisocyanateethoxyphenyl isocyanate2-ethoxy phenyl isocyanateXNW9DZU926SCHEMBL1021154

데이터베이스 식별자

CAS: 5395-71-1
PubChem CID: 79374
DTXSID: DTXSID8063832
UNII: XNW9DZU926
EC Number: 625-560-9
Nikkaji: J410.620B

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 175

물리화학적 성질

끓는 점: 259 °C · 259 °C(lit.)
밀도: 1.059 g/mL · 1.059 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5185(lit.)
인화점: 205 °F · 205 °F
Specific Gravity: 1.105 · 1.105
BRN: 1102956 · 1102956
InChI: 1S/C9H9NO2/c1-2-12-9-6-4-3-5-8(9)10-7-11/h3-6H,2H2,1H3
InChIKey: BUIQXUQLYZPMLS-UHFFFAOYSA-N
SMILES: CCOc1ccccc1N=C=O
EPA: 1 · Benzene, 1-ethoxy-2-isocyanato- (5395-71-1)

화학적 성질

clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Peroxide Forming Chemical · 3건

o-Ethoxyphenyl isocyanate

D*: Other compounds that may form peroxides

Kelly

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2206
HS 번호: 29291000
risk_code: 20/21/22-36/37/38-42/43-42
hazard_code: Xn,T,C
safety_code: 26-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Toxic/Corrosive/Lachrymatory/Moisture Sensitive
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids