2,1,3-벤조티아디아졸-5-카르브알데히드

2,1,3-Benzothiadiazole-5-carbaldehyde

HCID 2776290CAS 71605-72-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc2nsnc2c1
InChIKey: GEFIFDVQYCPLHC-UHFFFAOYSA-N
분자식: C7H4N2OS
평균 분자량: 164.19 g/mol
단동위원소 질량: 164.00443393

이름 및 식별자

우선 이름: 2,1,3-Benzothiadiazole-5-carbaldehyde
IUPAC: 2,1,3-benzothiadiazole-5-carbaldehyde
현지명: 2,1,3-벤조티아디아졸-5-카르브알데히드
영어명: 2,1,3-Benzothiadiazole-5-carbaldehyde
분자식: C7H4N2OS
분자량: 164.18

이름 및 동의어

2,1,3-benzothiadiazole-5-carbaldehyde71605-72-6DTXSID90379959RefChem:241859DTXCID50330985865-443-1benzo[c][1,2,5]thiadiazole-5-carbaldehyde2,1,3-Benzothiadiazole-5-CarboxaldehydeMFCD00457949benzo[1,2,5]thiadiazole-5-carbaldehydeSCHEMBL1336598AMY9194

이름 더 보기

2,1,3-벤조티아디아졸-5-카르브알데히드BUTTPARK 75\50-32Veratric Acid Impurity 1piazthiole-5-carbaldehyde5-ForMyl-2,1,3-benzothiadiazole2,1,3-benzothiadiazole-6-carbaldehyde2,1,3-benzothiadiazole-6-carboxaldehyde

5-formylbenzo-2,1,3-thiadiazoleALBB-007840AKOS005072973CS-W003937HA-0843benzo[1,2,5]thiadiazol-5-carbaldehydeAC-26505BP-10366

데이터베이스 식별자

CAS: 71605-72-6
PubChem CID: 2776290
DTXSID: DTXSID90379959
EC Number: 865-443-1

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 71.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 165

물리화학적 성질

녹는점: 90 °C · 90 °C
끓는 점: 291.9 · 291.9±13.0 °C(Predicted)
밀도: 1.477 · 1.477±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 결정성 분말
산도 계수 (pKa): -0.78 · -0.78±0.36(Predicted)
색상: 크림색
InChI: InChI=1S/C7H4N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-4H
InChIKey: GEFIFDVQYCPLHC-UHFFFAOYSA-N
SMILES: N1=C2C=CC(C=O)=CC2=NS1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): 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 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

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

안전 데이터

HS 번호: 2934999090
risk_code: 36/37/38-41-37/38
hazard_code: Xi
safety_code: 26-36/37/39-24/25-39
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

공급사50 곳

广州诚创生物科技有限公司18027266590 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]

Compound Net Biotechnology Inc.15266686121 · [email protected]

연결된 노트

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