3,5-디클로로-하이드록시벤잘데하이드

3,5-Dichloro-4-hydroxybenzaldehyde

HCID 16839CAS 2314-36-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1cc(Cl)c(O)c(Cl)c1
InChIKey: LIYGCLJYTHRBQV-UHFFFAOYSA-N
분자식: C7H4Cl2O2
평균 분자량: 191.01 g/mol
단동위원소 질량: 189.9588348

이름 및 식별자

우선 이름: 3,5-Dichloro-4-hydroxybenzaldehyde
IUPAC: 3,5-dichloro-4-hydroxybenzaldehyde
현지명: 3,5-디클로로-하이드록시벤잘데하이드
영어명: 3,5-DICHLORO-4-HYDROXYBENZALDEHYDE
분자식: C7H4Cl2O2
분자량: 191.01

이름 및 동의어

3,5-DICHLORO-4-HYDROXYBENZALDEHYDEDTXSID20177708NSC 31590RefChem:91472DTXCID40100199823-616-9LIYGCLJYTHRBQV-UHFFFAOYSA-N2314-36-5Benzaldehyde, 3,5-dichloro-4-hydroxy-MFCD000176053,5-Dichloro-4-hydroxy-benzaldehydeBenzaldehyde, 3,?5-?dichloro-?4-?hydroxy-

이름 더 보기

3,5-디클로로-하이드록시벤잘데하이드AKOS B029235Nipaguard DCHB 302,6-Dichloro-4-formylphenol5-DICHLORO-4-HYDROXYBENZALDEHYDE3,5-Dichloro-4-hydroxybenzaldehyd

Benzaldehyde,3,5-dichloro-4-hydroxy-NSC31590SCHEMBL574999SCHEMBL5148307Benzaldehyde,5-dichloro-4-hydroxy-MSK159700NSC-31590SBB013572

데이터베이스 식별자

CAS: 2314-36-5
PubChem CID: 16839
DTXSID: DTXSID20177708
EC Number: 823-616-9
Nikkaji: J80.452E

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

실험 및 물리화학적 성질

Kovats Retention Index1457；1463；1467；1465；1465；1476；1479；1465

물리화학적 성질

녹는점: 154 °C · 154 °C
끓는 점: 256.7 · 256.7±35.0 °C(Predicted)
밀도: 1.547 · 1.547±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 4.85 · 4.85±0.23(Predicted)
색상: 하얀색
InChI: 1S/C7H4Cl2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey: LIYGCLJYTHRBQV-UHFFFAOYSA-N
SMILES: Oc1c(Cl)cc(C=O)cc1Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 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 InformationChemical: Benzaldehyde, 3,5-dichloro-4-hydroxy-

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

규제 정보

Regulatory InformationChemical: Benzaldehyde, 3,5-dichloro-4-hydroxy-

안전 데이터

wgk: WGK 3
HS 번호: 2913000090
risk_code: 36
hazard_code: Xi
safety_code: 26
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

4-(벤질록시)-3,5-디클로로벤잘데히드

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海策嵘生物科技有限公司[email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

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