기본 정보
- CAS
2556-36-7- 표준 SMILES
O=C=NC1CCC(N=C=O)CC1- InChIKey
CDMDQYCEEKCBGR-UHFFFAOYSA-N- 분자식
- C8H10N2O2
- 평균 분자량
- 166.18 g/mol
- 단동위원소 질량
- 166.07422756
이름 및 식별자
- 우선 이름
- 1,4-Cyclohexane diisocyanate
- IUPAC
- 1,4-diisocyanatocyclohexane
- 현지명
- 시클로헥스-1,4-일렌디이소시아네이트
- 영어명
- cyclohex-1,4-ylene diisocyanate
- 분자식
- C8H10N2O2
- 분자량
- 166.18
이름 및 동의어
1,4-Diisocyanatocyclohexane2556-36-71,4-Cyclohexane diisocyanateCyclohexane, 1,4-diisocyanato-Cyclohexane diisocyanate1,4-cyclohexylenediisocyanate86P2MTQ76NDTXSID8062521RefChem:731731,4-CHDICDTXCID8037330219-869-4
이름 더 보기
시클로헥스-1,4-일렌디이소시아네이트TRANS-1,4-CYCLOHEXAN1,4-Cyclohexylene isocyanate1,4-diisocyanate-cyclohexaneCYCLOHEXANE,1,4-DIISOCYANATO-1,4-cyclohexylene diisocyanate1,4-Bis(isocyanato)cyclohexane
616-193-57517-76-2Trans-1,4-Cyclohexane Diisocyanatetrans-1,4-Diisocyanatocyclohexanetrans-1,4-Cyclohexanediisocyanatecyclohex-1,4-ylene diisocyanateCyclohexane, 1,4-diisocyanato-, trans-cyclohexane-1,4-diisocyanate
데이터베이스 식별자
- CAS
2556-36-7、7517-76-2、7517-77-3- PubChem CID
- 17367
- DTXSID
DTXSID8062521- UNII
- 86P2MTQ76N
- EC Number
- 219-869-4、616-193-5
- Nikkaji
- J1.336.793K、J23.460E
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 58.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 205
물리화학적 성질
- 녹는점
- 55 ℃ · 55℃
- 끓는 점
- 136 ℃ · 136℃ (15 Torr)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- InChI
- InChI=1S/C8H10N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h7-8H,1-4H2
- InChIKey
- CDMDQYCEEKCBGR-UHFFFAOYSA-N
- SMILES
- C1(N=C=O)CCC(N=C=O)CC1
- EPA
- 1 · 1,4-Cyclohexane diisocyanate (2556-36-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, 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.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
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
Isocyanates and thioisocyanates, such as 1,4-CYCLOHEXANE DIISOCYANATE, 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)].
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute Tox. 4 (100%)
안전 및 보호
Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
First AidExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
안전 데이터
- ridadr
- 2922
- 포장분류
- II
- 위험 등급
- 8
화학 및 산업
용도 및 제조
General Manufacturing InformationCyclohexane, 1,4-diisocyanato-, trans-: ACTIVE
상·하류 제품 정보
상류 원료
공급사55 곳
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