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

HCID 141194CAS 25343-70-8

Grundinformationen

Standard-SMILES
CC(C)c1cccc(C(C)C)c1N=C=S
InChIKey
HZGOUCYIYIFQHX-UHFFFAOYSA-N
Summenformel
C13H17NS
Durchschnittliche Molmasse
219,35 g/mol
Monoisotopische Masse
219,10817072

Namen und Bezeichner

Bevorzugter Name
2-Isothiocyanato-1,3-bis(propan-2-yl)benzene
IUPAC
2-isothiocyanato-1,3-di(propan-2-yl)benzene
Englischer Name
2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE
Summenformel
C13H17NS
Molmasse
219.35

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,6
Polarare Oberfläche (TPSA)
44,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
15

Physikochemische Eigenschaften

Siedepunkt
140 °C · 140°C 5mm
Dichte
1 · 1,01 g/cm3
Brechungsindex
1.583 · 1.5830
Flammpunkt
139 · 139-140°C/5mm
BRN
2416576 · 2416576
CAS Datenbank
25343 · 25343-70-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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%)

Sicherheitsdaten

ridadr
2810
hazard_class
6.1
packing_group
II

Chemie und Industrie

Anbieter33 Anbieter

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]

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