3-Isoquinolinecarboxylic acid hydrate

AKOS BB-8838 · CAS:203626-75-9 · RARECHEM AL BO 1320 · 3-Isoquinolinecarboxylic acid · 1-hydroxyisoquinoline-3-carboxylic acid · Isoquinoline-3-carboxylic acid hydrate 97% · Isoquinoline-3-carboxylicAcidMonohydrate>Isoquinoline-3-carboxylic acid hydrate ,99% · 3-ISOQUINOLINECARBOXYLIC ACID HYDRATE, 9 9%

https://huagongshe.com/ko/chemical/2736704

3-Isoquinolinecarboxylic acid hydrate 분자 구조식

식별자 및 물리적 특성

CAS No.	203626-75-9
분자식	C10H9NO3
평균 분자량	191.18 g/mol
단동위원소 질량	191.05824315 g/mol
SMILES	O.O=C(O)c1cc2ccccc2cn1
InChIKey	IXFLTVWYYQIVRB-UHFFFAOYSA-N
PubChem CID	2736704
EC No.	622-004-7
DTXSID	DTXSID60371541

화학 및 물리적 성질

극성 표면적	51.2
수소 결합 공여자 수	2
수소 결합 수용자 수	4
회전 가능 결합 수	1
무거운 원자 수	14
형식 전하	0
복잡도	205
녹는점	166-168 °C(lit.)
저장 조건	2-8°C
물리적 상태	powder to crystal
색상	White to Light yellow to Light orange
InChI	InChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13)
InChIKey	KVMMIDQDXZOPAB-UHFFFAOYSA-N
SMILES	C12C=CC=CC1=CN=C(C(=O)O)C=2

화학적 성질

Off-white solid

안전 및 규제

GHS 분류	WarningH315 (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 exposureRespiratory 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 43 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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)STOT SE 3 (50%)
수질 위해 등급(WGK)	3
관세 코드	29334900
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-37/39
위험 참고 사항	Irritant