1,1,1,2,3-펜타클로로프로판

1,1,1,2,3-Pentachloropropane

HCID 13454491

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 21700-31-2
표준 SMILES: ClCC(Cl)C(Cl)(Cl)Cl
InChIKey: ZXPCCXXSNUIVNK-UHFFFAOYSA-N
분자식: C3H3Cl5
평균 분자량: 216.3 g/mol
단동위원소 질량: 213.867739

이름 및 식별자

우선 이름: 1,1,1,2,3-Pentachloropropane
IUPAC: 1,1,1,2,3-pentachloropropane
현지명: 1,1,1,2,3-펜타클로로프로판
영어명: 1,1,1,2,3-Pentachloropropane
분자식: C3H3Cl5
분자량: 216.32

이름 및 동의어

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

이름 더 보기

1,1,1,2,3-펜타클로로프로판HCC-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 64

물리화학적 성질

녹는점: 180 °C · 180 °C
끓는 점: 190.45 °C · 190.45°C (estimate)
밀도: 1.6121 · 1.6121
굴절률: 1.513 · 1.5130
물리적 상태: 액체
색상: 투명한
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

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)