5-히드록시-2-메틸피리딘

2-Methyl-5-hydroxypyridine

HCID 14275CAS 1121-78-4

기본 정보

표준 SMILES
Cc1ccc(O)cn1
InChIKey
DHLUJPLHLZJUBW-UHFFFAOYSA-N
분자식
C6H7NO
평균 분자량
109.13 g/mol
단동위원소 질량
109.05276385

이름 및 식별자

우선 이름
2-Methyl-5-hydroxypyridine
IUPAC
6-methylpyridin-3-ol
현지명
5-히드록시-2-메틸피리딘
영어명
3-Hydroxy-6-methylpyridine
분자식
C6H7NO
분자량
109.13

이름 및 동의어

5-Hydroxy-2-methylpyridine1121-78-46-Methylpyridin-3-ol2-Methyl-5-hydroxypyridine3-HYDROXY-6-METHYLPYRIDINE6-Methyl-3-pyridinol3-Pyridinol, 6-methyl-6-Methyl-3-hydroxypyridine5-Hydroxy-2-picoline2-methyl-5-pyridinolDTXSID4051580UKE16JP1JR
이름 더 보기
5-하이드록시-2-메틸피리딘5-히드록시-2-메틸피리딘6-methyl-3-pyridinoTIMTEC-BB SBB0043492-Methylpyridin-5-ol6-Methyl-3-pyridineol3-HYDOXY-6-METHYLPYRIDINE
EINECS 214-337-8NSC 27963BRN 0107077NSC-279633-PYRIDOL, 6-METHYL-DTXCID8030132DHLUJPLHLZJUBW-UHFFFAOYSA-5-21-02-00139 (Beilstein Handbook Reference)

데이터베이스 식별자

CAS
1121-78-4
PubChem CID
14275
DTXSID
DTXSID4051580
ChEMBL
CHEMBL134979
UNII
UKE16JP1JR
EC Number
214-337-8
Nikkaji
J121J

물성

구조 계산 물성

XLogP
0.8
극성 표면적
33.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
8

실험 및 물리화학적 성질

Kovats Retention Index2430
Collision Cross Section · 1건

119.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4051580];118.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID4051580];120.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4051580]

물리화학적 성질

녹는점
168 · 168-170 °C(lit.)
끓는 점
204.59 °C · 204.59°C (rough estimate)
밀도
1.1143 · 1.1143 (rough estimate)
굴절률
1.504 · 1.5040 (estimate)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도
디클로로메탄: 가용성

화학적 성질

beige to light tan crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (88.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.8%): 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 45 reports by companies from 5 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 (88.9%);Skin Irrit. 2 (100%);Eye Dam. 1 (88.9%);Eye Irrit. 2 (11.1%);STOT SE 3 (97.8%)

안전 데이터

wgk
3
rtecs
UU7714900
독성
mouse,LD50,intraperitoneal,846mg/kg (846mg/kg),Toxicon. Vol. 23, Pg. 815, 1985.
HS 번호
29333990
risk_code
22-37/38-41-40-36/37/38
hazard_code
Xn,Xi

화학 및 산업

응용 분야 · 1건

용도5-Hydroxy-2-methylpyridine was used as starting reagent for the synthesis of 5-[(4-methoxybenzyl)oxy]-2-pyridinecarbaldehyde. It was used in synthesis of [HNC6H6OH]2[Cu(NC5H5)4(NbOF5)2].It was used as ligand of a platinum complex which showed protein kinase inhibitory action at nanomolar levels. It forms a chiral pyridinium ionic liquid on reaction with L-menthol chloromethyl ether.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
常州思丹德化工有限公司0519-85607885 13776800733 · [email protected]

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