4,4""-디이소시아나토-3,3""-디메틸-1,1""-비페닐
Bitolylene diisocyanate
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기본 정보
- CAS
91-97-4- 표준 SMILES
Cc1cc(-c2ccc(N=C=O)c(C)c2)ccc1N=C=O- InChIKey
ICLCCFKUSALICQ-UHFFFAOYSA-N- 분자식
- C16H12N2O2
- 평균 분자량
- 264.28 g/mol
- 단동위원소 질량
- 264.08987762
이름 및 식별자
- 우선 이름
- Bitolylene diisocyanate
- IUPAC
- 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
- 현지명
- 4,4""-디이소시아나토-3,3""-디메틸-1,1""-비페닐
- 영어명
- 3,3'-Dimethyl-4,4'-biphenylene diisocyanate
- 분자식
- C16H12N2O2
- 분자량
- 264.28
이름 및 동의어
91-97-44,4'-Diisocyanato-3,3'-dimethylbiphenylBitolylene diisocyanate3,3'-Dimethyl-4,4'-biphenylene diisocyanateNacconate 2003,3'-Dimethyl-4,4'-diphenylene diisocyanate3,3'-Bitolylene-4,4'-diisocyanate1,1'-BIPHENYL, 4,4'-DIISOCYANATO-3,3'-DIMETHYL-3,3'-Dimethylbiphenyl 4,4'-diisocyanate4,4'-Diisocyanato-3,3'-bitolylNSC 9599CCRIS 8907
이름 더 보기
3,3'-다이메틸바이페닐-4,4'-다이일다이아이소사이아네이트4,4""-디이소시아나토-3,3""-디메틸-1,1""-비페닐4,4'-디이소시아나토-3,3'-디메틸-1,1'-비페닐3,3'-다이메틸바이페닐-4,4'-다이일 다이아이소사이아네이트3,3'-다이메틸-4,4'-다이페닐렌 다이아이소사이아네이트3,3'-다이메틸-4,4'-바이페닐렌 다이아이소사이아네이트3,3'-다이메틸-4,4'-바이페닐렌 아이소사이아네이트3,3'-다이메틸다이페닐 4,4'-다이아이소사이아네이트3,3'-다이메틸바이페닐 4,4'-다이아이소사이아네이트4,4'-다이아이소사이아네이토-3,3'-다이메틸-1,1'-바이페닐4,4'-다이아이소사이아네이토-3,3'-다이메틸바이페닐4,4'-다이아이소사이아네이토-3,3'-바이톨릴톨리딘 다이아이소사이아네이트3,3'-디메틸-4,4'-비페닐렌디이소시아네이트TODInacconate2003,3'-DIMETHYL-4-diyl diisocyanate3,3'-Dimethyl-4,4'-btolidinediisocyanatebitoluenediisocyanatebitolylenediisocyanateo-Tolidine diisocyanate-dimethylbiphenyl-4,4'
3,3'-Dimethyl-4,4'-biphenylene isocyanateEINECS 202-112-7UNII-9L950NB0HN3,3'-Dimethyl-4,4'-biphenylylene diisocyanateBRN 27437109L950NB0HNIsocyanic acid, 3,3'-dimethyl-4,4'-biphenylene esterNSC-9599
데이터베이스 식별자
- CAS
91-97-4- PubChem CID
- 7072
- DTXSID
DTXSID7041463- UNII
- 9L950NB0HN
- EC Number
- 202-112-7
- Nikkaji
- J41.830G
물성
구조 계산 물성보충 중
- XLogP
- 5.9
- 극성 표면적
- 58.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 384
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
물리화학적 성질
- 녹는점
- 70 · 70-72°C
- 끓는 점
- 195 · 195-197°C (667 Pa)
- 밀도
- 1.197 · 1.197 (80°C)
- 증기압
- 0.003 Pa · 0.003Pa at 25℃
- 굴절률
- 1.58 · 1.5800 (estimate)
- 인화점
- 218 °C · 218°C
- 저장 조건
- 0 · 0-10°C
- 용해도
- 톨루엔에 용해됨
- 물리적 상태
- 작은 공
- 색상
- 흰색에서 거의 흰색
- 수용성
- 594.08 μg/L · 594.08μg/L at 25℃
- LogP
- 6.052 at · 6.052 at 25℃
- EPA
- 3 · 3,3'-Dimethyl-4,4'-diphenylene diisocyanate (91-97-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P318, P321, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)
Danger
H317 (98.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P317, P321, P333+P317, P342+P316, P362+P364, P391, P403, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethyl-
Hazard Traits - Respiratory Toxicity
Status: Active Update: 11-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10067
Restricted substance: 3,3'-dimethylbiphenyl-4,4'-diyl diisocyanate
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 3,3'-DIMETHYL-4,4'-DIPHENYLENE 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
Skin Sens. 1 (98.7%)
Respiratory sensitization - Category 1
Carc. 2
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
- tsca
- TSCA listed
- rtecs
- DV3960000
- HS 번호
- 29291090
- 기존화학 물질
- 2009-1-587
- 함량 및 규제정보
- 물질구분: 유독물질; 혼합물(제품)함량정보: 4,4'-디이소시아나토-3,3'-디메틸-1,1'-비페닐 및 이를 25% 이상 함유한 혼합물
- 유해화학물질 필터링
- 2009-1-587
화학 및 산업
용도 및 제조
General Manufacturing Information1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethyl-: ACTIVE
응용 분야
용도4,4''-Diisocyanato-3,3''-dimethylbiphenyl is used in preparation method of high-thixotropy single-component modified silane polymer sealant comprising thixotropic agent.
관련 반응
5건
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