4-퀴놀린카르복시산

4-Quinolinecarboxylic acid

HCID 10243CAS 486-74-8

기본 정보

표준 SMILES
O=C(O)c1ccnc2ccccc12
InChIKey
VQMSRUREDGBWKT-UHFFFAOYSA-N
분자식
C10H7NO2
평균 분자량
173.17 g/mol
단동위원소 질량
173.04767847

이름 및 식별자

우선 이름
4-Quinolinecarboxylic acid
IUPAC
quinoline-4-carboxylic acid
현지명
4-퀴놀린카르복시산
영어명
QUINOLINE-4-CARBOXYLIC ACID
분자식
C10H7NO2
분자량
173.17

이름 및 동의어

Quinoline-4-carboxylic acid486-74-84-Quinolinecarboxylic acid4-CarboxyquinolineCINCHONINIC ACIDCinchonic acidW6V42SQ9E8NSC-13138CHEBI:18311DTXSID20197567RefChem:912804DTXCID80120058
이름 더 보기
4-퀴놀린카르복시산4-퀴놀린카복실산Quinoline-4-carboxylicAKOS BC-0749cinchoninicacidAKOS BBS-000053354-quinolinic acid
207-640-1USAF D-2MFCD00006782NSC 13138CHEMBL44356174-quinolinecarboxylateNSC 13138; 4-Carboxyquinoline; 4-Quinolinic AcidEINECS 207-640-1

데이터베이스 식별자

CAS
486-74-8
PubChem CID
10243
DTXSID
DTXSID20197567
ChEMBL
CHEMBL4435617
ChEBI
CHEBI:18311
UNII
W6V42SQ9E8
EC Number
207-640-1
Nikkaji
J6.015A

물성

구조 계산 물성

XLogP
0.5
극성 표면적
50.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
13

실험 및 물리화학적 성질

Physical DescriptionCream-colored to light brown powder; [Alfa Aesar MSDS]
Collision Cross Section · 2건

133.4 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)];134.3 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

133.5 Ų [M+H]+;134.6 Ų [M-H]-

물리화학적 성질

녹는점
254 · 254-255 °C (lit.)
끓는 점
348.7 · 348.7±15.0 °C(Predicted)
밀도
1.339 · 1.339±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
DMSO에 용해됨
물리적 상태
powder to crystal

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 47 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

Hazards SummaryIntraperitoneal LD50 (mouse) = 200 mg/kg; [RTECS] An irritant; [Alfa Aesar MSDS] See Quinoline.
Hazard Classes and CategoriesSkin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.9%)

안전 데이터

wgk
3
rtecs
GD3850000
HS 번호
29334900
risk_code
36/37/38-36/38
hazard_code
Xi
safety_code
26-36-37/39

화학 및 산업

응용 분야

용도Quinoline-4-carboxylic Acid for small therapeutic agent compounds.

공급사50 곳

河北凡博医药科技有限公司15588346797
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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

관련 반응

61건

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