3-클로로-1-벤조티오펜-2-카르발데히드

3-Chloro-1-benzothiophene-2-carbaldehyde

HCID 818121CAS 14006-54-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1sc2ccccc2c1Cl
InChIKey: UFTPKLPCVLXBQY-UHFFFAOYSA-N
분자식: C9H5ClOS
평균 분자량: 196.65 g/mol
단동위원소 질량: 195.9749636

이름 및 식별자

우선 이름: 3-Chloro-1-benzothiophene-2-carbaldehyde
IUPAC: 3-chloro-1-benzothiophene-2-carbaldehyde
현지명: 3-클로로-1-벤조티오펜-2-카르발데히드
영어명: 3-Chloro-1-benzothiophene-2-carbaldehyde
분자식: C9H5ClOS
분자량: 196.65

이름 및 동의어

14006-54-33-chloro-1-benzothiophene-2-carbaldehydeDTXSID20355908RefChem:278064DTXCID90306967800-785-73-chlorobenzo[b]thiophene-2-carbaldehydeBenzo[b]thiophene-2-carboxaldehyde, 3-chloro-3-Chloro-benzo[b]thiophene-2-carbaldehydeMFCD004890513-chlorobenzothiophene-2-carbaldehyde3-Chlorobenzo[b]thiophene-2-carboxaldehyde

이름 더 보기

3-클로로-1-벤조티오펜-2-카르발데히드3-Chloro-2-benzothiophenecarboxaldehyde3-chloro-1-benzothiophene-2-carbaldehyde(SALTDATA: FREE)

3-CHLOROBENZO[B]THIOPHENE-2- CARBALDEHYDESCHEMBL659370SCHEMBL5394529UFTPKLPCVLXBQY-UHFFFAOYSA-NALBB-025147FD7228SBB072434AKOS001115599

데이터베이스 식별자

CAS: 14006-54-3
PubChem CID: 818121
DTXSID: DTXSID20355908
EC Number: 800-785-7
Nikkaji: J770.964A

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 185

물리화학적 성질

녹는점: 112 · 112-113℃ (hexane )
끓는 점: 331.1 · 331.1±22.0 °C(Predicted)
밀도: 1.439 · 1.439±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 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.