2,6-디이소프로필페닐이소티오시아네이트

2-Isothiocyanato-1,3-bis(propan-2-yl)benzene

HCID 141194CAS 25343-70-8

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

2-isothiocyanato-1,3-bis(propan-2-yl)benzeneRefChem:473934674-298-12,6-Diisopropylphenyl isothiocyanate25343-70-81,3-Diisopropyl-2-isothiocyanatobenzene2,6-Diisopropylphenylisothiocyanate2-isothiocyanato-1,3-di(propan-2-yl)benzeneMFCD000413411,3-Diisopropyl-2-isothiocyanato-benzeneCHEMBL112891SCHEMBL1457748
이름 더 보기
2,6-디이소프로필페닐이소티오시아네이트2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE ~92%2-Isothiocyanato-1,3-bis(1-methylethyl)benzene2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE: TECH., 90%Benzene, 2-isothiocyanato-1,3-bis(1-methylethyl)-2,6-Diisopropylphenyl isothiocyanate (contains 7-8% isomers)2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE: 92% (CONTAINS 7-8% ISOMERS)2,6-Diisopropylphenyl isothiocyate, ca. 92% (contains 7-8% isomers)
DTXSID901799912,6-diisopropylphenyl-isothiocyanateFS-42331,3-Diisopropyl-2-isothiocyanatobenzene #D58302-isothiocyaA817804ABA34370

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

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 · 5건

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

Hazard Classes and CategoriesAcute Tox. 3 (12.5%);Acute Tox. 4 (62.5%);Acute Tox. 4 (62.5%);Skin Irrit. 2 (50%);Eye Dam. 1 (12.5%);Eye Irrit. 2 (37.5%);Acute Tox. 3 (12.5%);Acute Tox. 4 (62.5%);Resp. Sens. 1 (12.5%);STOT SE 3 (37.5%)

안전 데이터

ridadr
2810
포장분류
II
위험 등급
6.1

화학 및 산업

공급사33 곳

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海玉雕化学技术有限公司021-37285211 18964703211 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]

관련 반응

8건

연결된 노트

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