O-2-나프틸클로로티오포르메이트

O-2-Naphthyl chlorothioformate

HCID 82681CAS 10506-37-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: S=C(Cl)Oc1ccc2ccccc2c1
InChIKey: INFPIPCTRVDPJG-UHFFFAOYSA-N
분자식: C11H7ClOS
평균 분자량: 222.69 g/mol
단동위원소 질량: 221.9906137

이름 및 식별자

우선 이름: O-2-Naphthyl chlorothioformate
IUPAC: O-naphthalen-2-yl chloromethanethioate
현지명: O-2-나프틸클로로티오포르메이트
영어명: O-2-Naphthyl chlorothioformate
분자식: C11H7ClOS
분자량: 222.69

이름 및 동의어

10506-37-3O-2-Naphthyl chlorothioformateEINECS 234-037-0DTXSID20146934Carbonochloridothioic acid, O-2-naphthalenyl esterRefChem:855184DTXCID9069425234-037-0naphthalen-2-yl chloromethanethioateO-naphthalen-2-yl chloromethanethioateO-(naphthalen-2-yl) carbonochloridothioateCarbonochloridothioicacid, O-2-naphthalenyl ester

이름 더 보기

O-2-나프틸클로로티오포르메이트NCTFTolnaftate Impurity 1Tonaphthol Impurity 5Beta naphthol thio chloroformateO-2-Naphthyl chlorothionoformate

O-(2-naphthyl) chloromethanethioateO-Naphthalen-2-yl Chlorothioformateo-naphthalen-2-yl carbonochloridothioate2-naphthylchlorothioformate2-naphthyl chlorothioformateT6L7YU9JEPSCHEMBL1403191SCHEMBL31141860

데이터베이스 식별자

CAS: 10506-37-3
PubChem CID: 82681
DTXSID: DTXSID20146934
UNII: T6L7YU9JEP
EC Number: 234-037-0
Nikkaji: J28.874H

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 41.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 219

물리화학적 성질

녹는점: 76 · 76-77 °C
끓는 점: 334.8 · 334.8±11.0 °C(Predicted)
밀도: 1.358 · 1.358±0.06 g/cm3(Predicted)
InChI: InChI=1S/C11H7ClOS/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey: INFPIPCTRVDPJG-UHFFFAOYSA-N
SMILES: C(Cl)(=S)OC1=CC=C2C(=C1)C=CC=C2

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H228 (92.3%): Flammable solid [Danger Flammable solids]；H314 (92.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H411 (92.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P240, P241, P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 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.