5-Methylpicolinic acid (HCID 199575)

이름 및 식별자

우선 이름: 5-Methylpicolinic acid
IUPAC: 5-methylpyridine-2-carboxylic acid
영어명: 5-Methylpicolinic acid
분자식: C7H7NO2
분자량: 137.14

이름 및 동의어

5-Methylpicolinic acid5-Methylpyridine-2-carboxylic acidRefChem:537305692-330-24434-13-3MFCD017043582-Pyridinecarboxylic acid, 5-methyl-Picolinic acid, 5-methyl-5-Methyl-2-pyridinecarboxylic acid5-methylpicolic acid5-methyl picolinic acidBRN 0112043

이름 더 보기

5-methyl-picolinicaci5-Methylpicolinic acid ,97%2-Carboxy-5-Methyl pyridine5-methyl-2-pyridinecarboxylicaci5-methylpyridine-2-carboxylicaci5-methyl-2-pyridinecarboxylicacid2-Carboxylic acid-5-methylpyridine

5-methyl-pyridine-2-carboxylic acidSCHEMBL826205-22-02-00333 (Beilstein Handbook Reference)SCHEMBL129542SCHEMBL14632370SCHEMBL29954297DTXSID50196144HWMYXZFRJDEBKC-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 4434-13-3
PubChem CID: 199575
DTXSID: DTXSID50196144
EC Number: 692-330-2
Nikkaji: J107.183A

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 164 · 164-166 °C
끓는 점: 317.1 · 317.1±22.0 °C(Predicted)
밀도: 1.23 · 1.230±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 1.11 · 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

GHS Classification · 5건

Danger

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute 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 exposure; Respiratory 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (75%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Dam. 1 (25%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)