기본 정보
- CAS
85324-94-3- 표준 SMILES
Cc1cc(C)c(N=C=O)cc1C- InChIKey
MAIFYUSBGLFXDA-UHFFFAOYSA-N- 분자식
- C10H11NO
- 평균 분자량
- 161.2 g/mol
- 단동위원소 질량
- 161.08406397
이름 및 식별자
- 우선 이름
- 2,4,5-Trimethylphenyl isocyanate
- IUPAC
- 1-isocyanato-2,4,5-trimethylbenzene
- 현지명
- 벤젠,1-이소시아나토-2,4,5-트리메틸-(9CI)
- 영어명
- Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI)
- 분자식
- C10H11NO
- 분자량
- 161.2
이름 및 동의어
2,4,5-TRIMETHYLPHENYL ISOCYANATERefChem:442801632-947-61-Isocyanato-2,4,5-trimethylbenzene85324-94-3BENZENE, 1-ISOCYANATO-2,4,5-TRIMETHYL-SCHEMBL1191608DTXSID20510055MAIFYUSBGLFXDA-UHFFFAOYSA-NDB-273906EN300-1835831벤젠,1-이소시아나토-2,4,5-트리메틸-(9CI)
이름 더 보기
Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI)
데이터베이스 식별자
- CAS
85324-94-3- PubChem CID
- 12793517
- DTXSID
DTXSID20510055- EC Number
- 632-947-6
- Nikkaji
- J1.537.407A
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 29.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 196
물리화학적 성질
- 끓는 점
- 100 · 100-101 °C(Press: 12 Torr)
- 밀도
- 0.98 · 0.98±0.1 g/cm3(Predicted)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
안전 데이터
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 23-26-36
화학 및 산업
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