기본 정보
- 표준 SMILES
CC(C)c1cccc(C(C)C)c1N=C=S- InChIKey
HZGOUCYIYIFQHX-UHFFFAOYSA-N- 분자식
- C13H17NS
- 평균 분자량
- 219.35 g/mol
- 단동위원소 질량
- 219.10817072
이름 및 식별자
- 우선 이름
- 2-Isothiocyanato-1,3-bis(propan-2-yl)benzene
- IUPAC
- 2-isothiocyanato-1,3-di(propan-2-yl)benzene
- 현지명
- 2,6-디이소프로필페닐이소티오시아네이트
- 영어명
- 2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE
- 분자식
- C13H17NS
- 분자량
- 219.35
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
25343-70-8- PubChem CID
- 141194
- DTXSID
DTXSID90179991- ChEMBL
CHEMBL112891- EC Number
- 674-298-1
- Nikkaji
- J2.495.936H
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 44.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 225
물리화학적 성질
- 끓는 점
- 140 °C · 140°C 5mm
- 밀도
- 1 · 1,01 g/cm3
- 굴절률
- 1.583 · 1.5830
- 인화점
- 139 · 139-140°C/5mm
- BRN
- 2416576 · 2416576
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (62.5%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (37.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (12.5%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (62.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H334 (12.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (37.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 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
안전 데이터
- ridadr
- 2810
- 포장분류
- II
- 위험 등급
- 6.1
화학 및 산업
공급사33 곳
관련 반응
연결된 노트
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