2-メチル-4,5-ジフェニルチアゾール

2-Methyl-4,5-diphenylthiazole

HCID 77365

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 3755-83-7
標準SMILES: Cc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIKey: ZFYWCVZNRMSXBT-UHFFFAOYSA-N
分子式: C16H13NS
平均分子量: 251.3 g/mol
単同位体質量: 251.07687059

名称と識別子

優先名称: 2-Methyl-4,5-diphenylthiazole
IUPAC: 2-methyl-4,5-diphenyl-1,3-thiazole
現地名: 2-メチル-4,5-ジフェニルチアゾール
英語名: 4,5-Diphenyl-2-methylthiazole
分子式: C16H13NS
分子量: 251.35

名称と別名

2-Methyl-4,5-diphenylthiazole3755-83-7EINECS 223-161-0DTXSID30190983NSC 59791RefChem:88109DTXCID70113474223-161-04,5-Diphenyl-2-methylthiazole2-methyl-4,5-diphenyl-1,3-thiazole2-Methyl-4,5-diphenyl-thiazoleMFCD00186396

名称をさらに表示

2-メチル-4,5-ジフェニルチアゾール4,5-ジフェニル-2-メチルチアゾール2-メチル-4,5-ジフェニルチアゾール, 97%2-メチル-4,5-ジフェニル-1,3-チアゾールLABOTEST-BB LT014140502-Methyl-4,5-diphenylthiazole>2-METHYL-4,5-DIPHENYL-1,3-THIAZOLE

Thiazole, 2-methyl-4,5-diphenyl-NSC-59791F1143-6185NSC59791MUV3CE7C3QSCHEMBL526264SCHEMBL3026864CHEMBL1973954

データベース識別子

CAS: 3755-83-7
PubChem CID: 77365
DTXSID: DTXSID30190983
ChEMBL: CHEMBL1973954
UNII: MUV3CE7C3Q
EC Number: 223-161-0
Nikkaji: J37.313C

物性

構造計算による物性

XLogP: 4.7
極性表面積: 41.1 Å²
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: 2
重原子数: 18
形式電荷: 0
複雑度: 256

物理化学的性質

融点: 44 · 44-50 °C (lit.)
貯蔵温度: 2 · 2-8°C, stored under nitrogen
溶解性: soluble in Methanol
外見: powder to crystal
色: Light orange to Yellow to Green
InChI: 1S/C16H13NS/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey: ZFYWCVZNRMSXBT-UHFFFAOYSA-N
SMILES: Cc1nc(-c2ccccc2)c(s1)-c3ccccc3
CAS データベース: 3755 · 3755-83-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

安全データ

wgk: 3
ridadr: UN 3335
hs_code: 2934.10.2000
risk_code: 36/37/38
化審法: (5)-210
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

用途有機合成原料。

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