5-Chloropyrazinoic acid

HCID 465472CAS 36070-80-1

기본 정보

표준 SMILES: O=C(O)c1cnc(Cl)cn1
InChIKey: FXJOTWLLDJYKAG-UHFFFAOYSA-N
분자식: C5H3ClN2O2
평균 분자량: 158.54 g/mol
단동위원소 질량: 157.98830502

이름 및 식별자

우선 이름: 5-Chloropyrazinoic acid
IUPAC: 5-chloropyrazine-2-carboxylic acid
영어명: 5-Chloro-pyrazine-2-carboxylic acid
분자식: C5H3ClN2O2
분자량: 158.54

이름 및 동의어

5-Chloropyrazinoic acidRefChem:5346315-CHLOROPYRAZINE-2-CARBOXYLIC ACID36070-80-15-Chloro-pyrazine-2-carboxylic acid5-Chloro-2-pyrazinecarboxylic acidPyrazinecarboxylic acid, 5-chloro-MFCD090332692-carboxy-5-chloro-pyrazineAKOS005258778PB343495-CHOLRO-PYRAZINE-2-CARBOXYLIC ACID

이름 더 보기

5- chlorinepyrazine -2-2-Carboxy-5-chloropyrazine5-Chloro-pyridine-carboxylic5-Chloropyrazine-2-carbox...5-Chloropyrazinecarboxylic Acid5-Chloropyrazine-2-carboxylicaci5-chloropyrazine-2-carboxlic acid5-Chloropyrazine-3-carboxylicacid5-Chlopopyrazine-2-carboxylic acid5-chloro-pyrazin-5-carboxylic acid

EN300-95628Z1201624906BCP23132AM62711FT-0647472SCHEMBL287121CHEMBL126703SCHEMBL30159768

데이터베이스 식별자

CAS: 36070-80-1
PubChem CID: 465472
DTXSID: DTXSID90189656
ChEMBL: CHEMBL126703
EC Number: 636-844-7
Nikkaji: J718.386K

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 63.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 142

물리화학적 성질

녹는점: 150 · 150-151℃
끓는 점: 330.9 · 330.9±37.0 °C(Predicted)
밀도: 1.579 · 1.579±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 2.68 · 2.68±0.10(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C5H3ClN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10)
InChIKey: FXJOTWLLDJYKAG-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC=C(Cl)N=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

ridadr: UN2811
HS 번호: 2933998090
hazard_code: Xi
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도5-Chloropyrazine-2-carboxylic acid

상·하류 제품 정보

상류 원료

하류 제품

2-Pyrazinecarboxylic acid, 5-(hexyloxy)-5-메톡시피라진카르복실산메틸에스테르 아제티딘-1-일(5-클로로피라진-2-일)메타논 5-(cyclopropylmethoxy)-2-Pyrazinecarboxylic acid 5-(but-2-ynyloxy)pyrazine-2-carboxylic acid

공급사50 곳

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

上海将来实业股份有限公司400-0066400 13621662912 · [email protected]

연결된 노트

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