Oxiniacic Acid

HCID 16976CAS 2398-81-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)c1ccc[n+]([O-])c1
InChIKey
FJCFFCXMEXZEIM-UHFFFAOYSA-N
분자식
C6H5NO3
평균 분자량
139.11 g/mol
단동위원소 질량
139.02694302

이름 및 식별자

우선 이름
Oxiniacic Acid
IUPAC
1-oxidopyridin-1-ium-3-carboxylic acid
영어명
Nicotinic acid N-oxide
분자식
C6H5NO3
분자량
139.11

이름 및 동의어

Nicotinic acid N-oxide2398-81-4Oxiniacic acidNicotinic acid 1-oxide3-Pyridinecarboxylic acid, 1-oxideNicotinic acid oxideAcido oxiniacicoAcide oxiniaciqueAcidum oxiniacicumN-Hydroxynicotinic acid3-Pyridinecarboxylic acid oxide3-Carboxypyridine N-oxide
이름 더 보기
OxiniacicOxyniacinNicotinic N-oxideOxynicotinic acidRARECHEM AL BO 0712TIMTEC-BB SBB004182N-oxidenicotinic acidSPECS AJ-333/25022123
Pyridine-3-carboxylic acid N-oxideYY03Q39E6LAcide oxiniacique [INN-French]Acido oxiniacico [INN-Spanish]DTXSID2046543Oxiniacic acid [INN:DCF]NSC-93890Acidum oxiniacicum [INN-Latin]

데이터베이스 식별자

CAS
2398-81-4
PubChem CID
16976
DTXSID
DTXSID2046543
ChEMBL
CHEMBL1591725
ChEBI
CHEBI:134763
UNII
YY03Q39E6L
EC Number
219-265-0
Nikkaji
J1.334.729H、J1.809K

물성

구조 계산 물성

XLogP
-0.6
극성 표면적
62.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
10

물리화학적 성질

녹는점
254 · 254-255 °C (dec.)(lit.)
끓는 점
255.04 °C · 255.04°C (rough estimate)
밀도
1.4429 · 1.4429 (rough estimate)
굴절률
1.5423 · 1.5423 (estimate)
저장 조건
Inert atmosphere,Room Temperature
용해도
벤젠: 불용성

화학적 성질

BEIGE FINE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (33.3%): 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, P317, 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 InformationStatus: Active Update: 13-04-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/7350
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (33.3%)

규제 정보

Regulatory InformationStatus: Active Update: 13-04-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/7350

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29333999
risk_code
20/21-36/37/38
hazard_code
Xn,Xi
safety_code
22-24/25-36-26

화학 및 산업

용도 및 제조

General Manufacturing Information3-Pyridinecarboxylic acid, 1-oxide: ACTIVE

응용 분야

용도antilipemic

일반 설명Nicotinic acid N-oxide acts as a ligand and forms lead-carboxylate complexes having phosphorescent properties.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
河北贞田食品添加剂有限公司0319-5925599 13373390591
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

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