1,1,1,2,3-ペンタクロロプロパン

1,1,1,2,3-Pentachloropropane

HCID 13454491

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 21700-31-2
標準SMILES: ClCC(Cl)C(Cl)(Cl)Cl
InChIKey: ZXPCCXXSNUIVNK-UHFFFAOYSA-N
分子式: C3H3Cl5
平均分子量: 216.3 g/mol
単同位体質量: 213.867739

名称と識別子

優先名称: 1,1,1,2,3-Pentachloropropane
IUPAC: 1,1,1,2,3-pentachloropropane
現地名: 1,1,1,2,3-ペンタクロロプロパン
英語名: 1,1,1,2,3-Pentachloropropane
分子式: C3H3Cl5
分子量: 216.32

名称と別名

1,1,1,2,3-Pentachloropropane1,1,1,2,3-PentachlorpropaneDTXSID60541282EC 688-501-6RefChem:409364DTXCID20492069688-501-621700-31-2MFCD01024425SCHEMBL365196SCHEMBL11240420AKOS025310303

名称をさらに表示

1,1,1,2,3-ペンタクロロプロパンHCC-240dbPropane, 1,1,1,2,3-pentachloro-1,1,1,2,3-Pentachloropropane (Purity (GC/FID) 97-100%)

MSK168119-100MMSK168119-1000MNS000079311,1,1,2,3-Pentachloropropane Solution in Methanol, 100ug/mL1,1,1,2,3-Pentachloropropane Solution in Methanol, 1000ug/mL

データベース識別子

CAS: 21700-31-2
PubChem CID: 13454491
DTXSID: DTXSID60541282
EC Number: 688-501-6
Nikkaji: J88.020E

物性

構造計算による物性

XLogP: 3.3
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 64

物理化学的性質

融点: 180 °C · 180 °C
沸点: 190.45 °C · 190.45°C (estimate)
比重(密度): 1.6121 · 1.6121
屈折率: 1.513 · 1.5130
外見: liquid
色: Clear
InChI: InChI=1S/C3H3Cl5/c4-1-2(5)3(6,7)8/h2H,1H2
InChIKey: ZXPCCXXSNUIVNK-UHFFFAOYSA-N
SMILES: C(Cl)(Cl)(Cl)C(Cl)CCl

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H341 (50%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]；H361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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

Regulatory InformationStatus: Active Update: 27-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/6364

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)；Muta. 2 (50%)；Repr. 2 (50%)