디페닐메틸이소시아네이트98

(Isocyanatomethylene)dibenzene

HCID 4250935

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3066-44-2
표준 SMILES: O=C=NC(c1ccccc1)c1ccccc1
InChIKey: BWLKKFSDKDJGDZ-UHFFFAOYSA-N
분자식: C14H11NO
평균 분자량: 209.24 g/mol
단동위원소 질량: 209.08406397

이름 및 식별자

우선 이름: (Isocyanatomethylene)dibenzene
IUPAC: [isocyanato(phenyl)methyl]benzene
현지명: 디페닐메틸이소시아네이트98
영어명: Diphenylmethyl isocyanate 98
분자식: C14H11NO
분자량: 209.24

이름 및 동의어

(isocyanatomethylene)dibenzeneRefChem:406556625-556-7Diphenylmethyl isocyanate3066-44-2[isocyanato(phenyl)methyl]benzenediphenylmethylisocyanate1,1'-(isocyanatomethylene)dibenzeneMFCD01863694Benzene, 1,1'-(isocyanatomethylene)bis-diphenylmethyl-isocyanateDi-phenylmethylisocyanate

이름 더 보기

디페닐메틸이소시아네이트98Diphenylmethyl isocyanate 98%Diphenylmethyl isocyanate 981,1,-(isocyanatomethylene)dibenzene

diphenylmethane isocyanateSCHEMBL134389Diphenylmethyl isocyanate, 98%SCHEMBL27560901DTXSID70401227BWLKKFSDKDJGDZ-UHFFFAOYSA-N(Phenyl-isocyanato-methyl)-benzeneAKOS009157286

데이터베이스 식별자

CAS: 3066-44-2
PubChem CID: 4250935
DTXSID: DTXSID70401227
EC Number: 625-556-7
Nikkaji: J677.780E

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 227

물리화학적 성질

끓는 점: 298 °C · 298 °C (lit.)
밀도: 1.105 g/mL · 1.105 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.579(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
InChI: 1S/C14H11NO/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChIKey: BWLKKFSDKDJGDZ-UHFFFAOYSA-N
SMILES: O=C=NC(c1ccccc1)c2ccccc2

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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: UN2206
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 23-26-36
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 10 - Combustible liquids