1,2,2,2-Tetrachloroethyl chloroformate

HCID 2733327CAS 98015-53-3

基本情報

標準SMILES: O=C(Cl)OC(Cl)C(Cl)(Cl)Cl
InChIKey: RINXZIYBNVEZRT-UHFFFAOYSA-N
分子式: C3HCl5O2
平均分子量: 246.3 g/mol
単同位体質量: 243.84191767

名称と識別子

優先名称: 1,2,2,2-Tetrachloroethyl chloroformate
IUPAC: 1,2,2,2-tetrachloroethyl carbonochloridate
英語名: (+/-)-1,2,2,2-Tetrachloroethyl chloroformate
分子式: C3HCl5O2
分子量: 246.3

名称と別名

1,2,2,2-TETRACHLOROETHYL CHLOROFORMATERefChem:410397619-313-498015-53-31,2,2,2-tetrachloroethyl carbonochloridateCarbonochloridic Acid 1,2,2,2-Tetrachloroethyl EsterMFCD00012247(+/-)-1,2,2,2-TETRACHLOROETHYL CHLOROFORMATEC3HCl5O2SCHEMBL1502043DTXSID10369852RINXZIYBNVEZRT-UHFFFAOYSA-N

名称をさらに表示

Paclitaxel Impurity 90Tetra Chloro-Ethyl chloroformate(#1)-1,2,2,2-Tetrachloroethyl chloroformate(±)-1,2,2,2-Tetrachloroethyl chloroformate,98%

1,2,2,2-tetrachloroethylchlo-roformateDB-057702

データベース識別子

CAS: 98015-53-3
PubChem CID: 2733327
DTXSID: DTXSID10369852
EC Number: 619-313-4
Nikkaji: J315.347I

物性

構造計算による物性

XLogP: 3.8
極性表面積: 26.3 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: 10
形式電荷: 0
複雑度: 129

物理化学的性質

沸点: 78 °C15 · 78 °C15 mm Hg(lit.)
比重(密度): 1.61 g/mL · 1.61 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.482(lit.)
闪点: 193 °F · 193 °F
貯蔵温度: Refrigerator (+4°C)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (100%)

安全データ

wgk: 3
ridadr: UN 3390 6.1/PG 1
risk_code: 23/24/25-34
hazard_code: T
safety_code: 26-27-36/37/39-45
hazard_class: 6.1(a)
packing_group: II

化学と産業

応用分野 · 1 件

使用Carbonochloridic Acid 1,2,2,2-Tetrachloroethyl Ester is used in the synthesis of Doxorubicin (D558000), is used as an antineoplastic. Also used in the synthesis of metabolites of Docetaxel (D494420), a semisynthetic derivative of Paclitaxel. An antimitotic agent that promotes the assembly of micro-tubules and inhibits their de-polymerization to free tubulin. An antine oplastic.