이소포론디이소시이네이트

Isophorone diisocyanate

HCID 169132
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기본 정보

CAS
4098-71-9
표준 SMILES
CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1
InChIKey
NIMLQBUJDJZYEJ-UHFFFAOYSA-N
분자식
C12H18N2O2
평균 분자량
222.28 g/mol
단동위원소 질량
222.13682782

이름 및 식별자

우선 이름
Isophorone diisocyanate
IUPAC
5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
현지명
이소포론디이소시이네이트
영어명
Isophorone diisocyanate
분자식
C12H18N2O2
분자량
222.28

이름 및 동의어

ISOPHORONE DIISOCYANATE4098-71-9IPDI5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexaneIsophorone diamine diisocyanateCyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanateDTXSID00238263-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanateIsocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) esterCHEBI:532143,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate
이름 더 보기
이소포론디이소시아네이트이소포론디이소시이네이트이소포론디이소시아네이트다이아이소시안산 이소포론디이소시안산이소포론1,1,5,5-Tetramethylcyclohexane-a-1,3-diisocyanate5-Isocyanato-1-isocyanatomethyl-1,3,3-trimethylcoclohexaneJACS-4098-71-9Ncgc00091745-01UNII:43B0856528Isophorondiisocyanat
DTXCID90382643B08565281,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexaneRefChem:76413-isocyanatomethyl-3,5,5-trimethylcyclohexyl-isocyanate

데이터베이스 식별자

CAS
4098-71-9
PubChem CID
169132
DTXSID
DTXSID0023826
ChEMBL
CHEMBL1509442
ChEBI
CHEBI:53214
UNII
43B0856528
EC Number
223-861-6
Nikkaji
J53.651B

물성

구조 계산 물성

XLogP
4.5
극성 표면적
58.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
16

물리화학적 성질

녹는점
-60 °C · -60°C
끓는 점
158 · 158-159 °C15 mm Hg(lit.)
밀도
1.049 g/mL · 1.049 g/mL at 25 °C(lit.)
증기압
0.0004 hPa · 0.0004 hPa (20 °C)
굴절률
20 · n20/D 1.484(lit.)
인화점
230 °F · >230 °F

화학적 성질

Isophorone diisocyanate is a colourless or slightly yellow liquid, with a vapour pressure which is significantly lower than that of tolylene diisocyanate.

안전 및 규제

안전 데이터

OEB
D
OEL
TWA: 0.005 ppm (0.045 mg/m3), STEL: 0.02 ppm (0.180 mg/m3) [skin]
wgk
2
tsca
TSCA listed
rtecs
NQ9370000
ridadr
UN 2290

화학 및 산업

응용 분야

개요Isophorone diisocyanate (IPDI) (CAS No. 4098-71-9) is a clear to pale-yellow liquid with a camphorlike odor which is insoluble in water and miscible with most common organic solvents. IPDI exists in two conformers, cis and trans.

일반 설명Isophorone diisocyanate is a clear to light-yellow liquid. Slightly denser than water and insoluble in water. Toxic by inhalation and skin absorption. Very irritating to skin. Used to make polyurethane coatings.

제조 방법

Isophorone diisocyanate (IPDI) is prepared by the phosgenation of isophorone diamine (l-amino-3-aminomethyl-3,5,5-trimethylcydohexane):

상·하류 제품 정보

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

추가 설명

정의ChEBI: A diisocyanate in which the two isocyanate groups are linked by an isophorone substituent.

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