2-Chloro-4-pyridinecarboxaldehyde (HCID 2762994)

이름 및 식별자

우선 이름: 2-Chloro-4-pyridinecarboxaldehyde
IUPAC: 2-chloropyridine-4-carbaldehyde
영어명: 2-Chloroisonicotinaldehyde
분자식: C6H4ClNO
분자량: 141.56

이름 및 동의어

2-chloro-4-pyridinecarboxaldehydeRefChem:469100622-550-62-Chloroisonicotinaldehyde101066-61-92-Chloropyridine-4-carbaldehyde2-CHLOROPYRIDINE-4-CARBOXALDEHYDE2-Chloro-4-formylpyridine4-PYRIDINECARBOXALDEHYDE, 2-CHLORO-2-Chloro-pyridine-4-carbaldehydeMFCD06651557SCHEMBL39750

이름 더 보기

2-chloro-3-forMylpyridine-4-carboxylic acidoroisonicotinaLBUTTPARK 154\50-03TIMTEC-BB SBB0041562-Chloroisonicotinal2-ChloronicotinealdehydeCHLORO-2-FORMYL-3-PYRIDINE2-Chloroisonicotinaldehyde 97%

2-chloropyridin-4-carbaldehydeDTXSID90376645AKOS005070018CS-W011025PB21899SY025970C27232Z-0705

데이터베이스 식별자

CAS: 101066-61-9
PubChem CID: 2762994
DTXSID: DTXSID90376645
EC Number: 622-550-6
Nikkaji: J1.584.182F

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 107

물리화학적 성질

녹는점: 46 · 46-50 °C
끓는 점: 243.4 · 243.4±20.0 °C(Predicted)
밀도: 1.332 · 1.332±0.06 g/cm3(Predicted)
인화점: 230 °C · >230 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): -1.23 · -1.23±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 7986625 · 7986625
InChI: InChI=1S/C6H4ClNO/c7-6-3-5(4-9)1-2-8-6/h1-4H
InChIKey: UFPOSTQMFOYHJI-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(C=O)=C1

화학적 성질

white to yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (87%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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 (87%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (87%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.8%)

안전 데이터

wgk: 3
HS 번호: 2933399990
risk_code: 22-36-43-36/37/38-20/21/22-42/43
hazard_code: Xn,Xi
safety_code: 26-36/37-36/37/39-22-45-23
위험 등급: IRRITANT
위험 참고 사항: Harmful
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도2-Chloropyridine-4-carboxaldehyde is a reagent used in the chemoenzymic synthesis of α-fluoro β-hydroxy carboxylic esters. It is also a reagent in the combinatorial synthesis of methylene sulfonamides and related compounds as potential kinase inhibitors.

상·하류 제품 정보

상류 원료

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

연결된 노트

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2-Chloro-4-pyridinecarboxaldehyde

기본 정보