(2-Chloro-6-methylpyridin-4-yl)methanol

HCID 22504306

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 152815-18-4
표준 SMILES: Cc1cc(CO)cc(Cl)n1
InChIKey: YXPVCSWOMRFRCS-UHFFFAOYSA-N
분자식: C7H8ClNO
평균 분자량: 157.6 g/mol
단동위원소 질량: 157.0294416

이름 및 식별자

우선 이름: (2-Chloro-6-methylpyridin-4-yl)methanol
IUPAC: (2-chloro-6-methyl-4-pyridinyl)methanol
영어명: (2-chloro-6-methylpyridin-4-yl)methanol
분자식: C7H8ClNO
분자량: 157.6

이름 및 동의어

(2-chloro-6-methylpyridin-4-yl)methanol152815-18-4RefChem:395643961-776-2MFCD16607334(2-Chloro-6-methyl-4-pyridyl)methanol(2-chloro-6-methyl-pyridin-4-yl)-methanolSCHEMBL501235SCHEMBL5898063YXPVCSWOMRFRCS-UHFFFAOYSA-NSB534442-chloro4-hydroxymethyl-6-methylpyridine

이름 더 보기

4-Pyridinemethanol, 2-chloro-6-methyl-

DA-09949SY269196WS-02020(2-chloro-6-methylpyridin-4-yl)-methanol2-chloro-4-hydroxymethyl-6-methylpyridineCS-0214821EN300-1965678F539447

데이터베이스 식별자

CAS: 152815-18-4
PubChem CID: 22504306
EC Number: 961-776-2

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

끓는 점: 280.9 · 280.9±35.0 °C(Predicted)
밀도: 1.263 · 1.263±0.06 g/cm3(Predicted)
물리적 상태: solid
산도 계수 (pKa): 13.1 · 13.10±0.10(Predicted)
InChI: 1S/C7H8ClNO/c1-5-2-6(4-10)3-7(8)9-5/h2-3,10H,4H2,1H3
InChIKey: YXPVCSWOMRFRCS-UHFFFAOYSA-N
SMILES: ClC1=NC(C)=CC(CO)=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.