イソチオシアン酸2,6-ジイソプロピルフェニル

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

HCID 141194

基本情報

CAS
25343-70-8
標準SMILES
CC(C)c1cccc(C(C)C)c1N=C=S
InChIKey
HZGOUCYIYIFQHX-UHFFFAOYSA-N
分子式
C13H17NS
平均分子量
219.35 g/mol
単同位体質量
219.10817072

名称と識別子

優先名称
2-Isothiocyanato-1,3-bis(propan-2-yl)benzene
IUPAC
2-isothiocyanato-1,3-di(propan-2-yl)benzene
現地名
イソチオシアン酸2,6-ジイソプロピルフェニル
英語名
2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE
分子式
C13H17NS
分子量
219.35

名称と別名

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
名称をさらに表示
イソチオシアン酸2,6-ジイソプロピルフェニル1,3-ジイソプロピル-2-イソチオシアナトベンゼン2,6-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

データベース識別子

CAS
25343-70-8
PubChem CID
141194
DTXSID
DTXSID90179991
ChEMBL
CHEMBL112891
EC Number
674-298-1
Nikkaji
J2.495.936H

物性

構造計算による物性

XLogP
5.6
極性表面積
44.5 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
3
重原子数
15

物理化学的性質

沸点
140 °C · 140°C 5mm
比重(密度)
1 · 1,01 g/cm3
屈折率
1.583 · 1.5830
闪点
139 · 139-140°C/5mm
BRN
2416576 · 2416576
CAS データベース
25343 · 25343-70-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

安全データ

ridadr
2810
hazard_class
6.1
packing_group
II

化学と産業

サプライヤー33 社

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]

関連反応

8 件

化合物ノート

読み込み中…