1,4-비스(이소시아네이토메틸)사이클로헥산

1,4-Bis(isocyanatomethyl)cyclohexane

HCID 61504CAS 10347-54-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C=NCC1CCC(CN=C=O)CC1
InChIKey: ROHUXHMNZLHBSF-UHFFFAOYSA-N
분자식: C10H14N2O2
평균 분자량: 194.23 g/mol
단동위원소 질량: 194.10552769

이름 및 식별자

우선 이름: 1,4-Bis(isocyanatomethyl)cyclohexane
IUPAC: 1,4-bis(isocyanatomethyl)cyclohexane
현지명: 1,4-비스(이소시아네이토메틸)사이클로헥산
영어명: 1,4-bis(isocyanatomethyl)cyclohexane
분자식: C10H14N2O2
분자량: 194.23

이름 및 동의어

1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE10347-54-3EINECS 233-757-21,4-Bis(aminomethyl)cyclohexane diisocyanate1,4-Cyclohexane bis(methylisocyanate)Cyclohexane, 1,4-bis(isocyanatomethyl)-DTXSID2065046RefChem:73143DTXCID5032810233-757-21,4-Bis(methylisocyanate)cyclohexaneSCHEMBL44332

이름 더 보기

1,4-비스(이소시아네이토메틸)사이클로헥산CYCLOHEXANE,1,4-BIS(ISOCYANATOMETHYL)-1,4-Cyclohexanebis(methylene isocyanate)[(1,4-Cyclohexanediyl)bismethylene]diisocyanate[(Cyclohexane-1,4-diyl)bismethylene]bisisocyanate

1,4-Bis(methylisocyanate)cyclohexane [Diisocyanates]SCHEMBL1081546SCHEMBL1081557ROHUXHMNZLHBSF-AOOOYVTPSA-NROHUXHMNZLHBSF-MGCOHNPYSA-N1,4-diisocyanato methylcyclohexaneDTXSID6010315011,4-bis(isocyanatomethyl)-cyclohexane

데이터베이스 식별자

CAS: 10347-54-3、98458-83-4
PubChem CID: 61504
DTXSID: DTXSID2065046
EC Number: 233-757-2、825-609-6
Nikkaji: J173.799F、J3.483.313C、J3.676.225J

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 58.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 229

물리화학적 성질

끓는 점: 294 ℃ · 294℃
밀도: 1.14 · 1.14
인화점: 119 ℃ · 119℃
EPA: 1 · 1,4-Bis(isocyanatomethyl)cyclohexane (10347-54-3)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

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

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P331, 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 94 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

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

유해성 정보

Regulatory InformationStatus: Active Update: 11-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26702

DOT LabelPoison

Fire HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Health HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Reactive GroupIsocyanates and Isothiocyanates

Reactivity Profile · 1건

Isocyanates and thioisocyanates, such as 1,4-BIS(METHYLISOCYANATE)CYCLOHEXANE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].