5-Methylpicolinic acid

5-METHYLPYRIDINE-2-CARBOXYLIC ACID · 5-methyl-picolinicaci · 5-Methylpicolinic acid · Picolinic acid, 5-methyl- · 5-Methylpicolinic acid ,97% · 2-Carboxy-5-Methyl pyridine · 5-methyl-2-pyridinecarboxylicaci · 5-methylpyridine-2-carboxylicaci

https://huagongshe.com/ko/chemical/199575

식별자 및 물리적 특성

CAS No.	4434-13-3
분자식	C7H7NO2
평균 분자량	137.14 g/mol
단동위원소 질량	137.04767847 g/mol
SMILES	Cc1ccc(C(=O)O)nc1
InChIKey	HWMYXZFRJDEBKC-UHFFFAOYSA-N
PubChem CID	199575
EC No.	692-330-2
DTXSID	DTXSID50196144

화학 및 물리적 성질

XLogP	1.1
극성 표면적	50.2
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	136
녹는점	164-166 °C
끓는 점	317.1±22.0 °C(Predicted)
밀도	1.230±0.06 g/cm3(Predicted)
저장 조건	2-8°C
물리적 상태	고체
pKa(산도 계수)	1.11±0.50(Predicted)
색상	회백색
InChI	1S/C7H7NO2/c1-5-2-3-6(7(9)10)8-4-5/h2-4H,1H3,(H,9,10)
InChIKey	HWMYXZFRJDEBKC-UHFFFAOYSA-N
SMILES	Cc1ccc(nc1)C(O)=O

화학적 성질

Light yellow crystalline powder

안전 및 규제

GHS 분류	DangerH302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 4 reports by companies from 4 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	Acute Tox. 4 (75%)Acute Tox. 4 (50%)Skin Irrit. 2 (50%)Eye Dam. 1 (25%)Eye Irrit. 2 (50%)STOT SE 3 (50%)
수질 위해 등급(WGK)	WGK 1
관세 코드	29333990
위험 문구(R)	22-36/37/38
안전 문구(S)	24/25-33
위험 등급	Acute Tox. 4 OralEye Dam. 1
저장 분류