5-Methyl-2-pyrazinecarboxylic acid

HCID 122831
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기본 정보

CAS
5521-55-1
표준 SMILES
Cc1cnc(C(=O)O)cn1
InChIKey
RBYJWCRKFLGNDB-UHFFFAOYSA-N
분자식
C6H6N2O2
평균 분자량
138.12 g/mol
단동위원소 질량
138.04292743

이름 및 식별자

우선 이름
5-Methyl-2-pyrazinecarboxylic acid
IUPAC
5-methylpyrazine-2-carboxylic acid
영어명
5-Methyl-2-pyrazinecarboxylic acid
분자식
C6H6N2O2
분자량
138.12

이름 및 동의어

5-Methylpyrazine-2-carboxylic Acid5521-55-15-Methyl-2-pyrazinecarboxylic acid2-Methylpyrazine-5-carboxylic acidPyrazinecarboxylic acid, 5-methyl-UNII-B861RS5NHIB861RS5NHI2-Pyrazinecarboxylic acid, 5-methyl-RBYJWCRKFLGNDB-UHFFFAOYSA-DTXSID10203707EC 413-260-9PARITAPREVIR METABOLITE M13
이름 더 보기
2-Carboxy-5-methylpyrazineN-methyl pyrazine-2-carboxylic acid5MPZATIMTEC-BB SBB006622Glipizide Impurity 7Glipizide Impurity 315-Methyl pyrazine-2-acid3-Carboxy-5-methylpyrazine
5-METHYL-2-PYRAZINOIC ACID5-METHYLPYRAZINE CARBOXYLIC ACIDRefChem:103129DTXCID00126198413-260-9611-241-1InChI=1/C6H6N2O2/c1-4-2-8-5(3-7-4)6(9)10/h2-3H,1H3,(H,9,10)RBYJWCRKFLGNDB-UHFFFAOYSA-N

데이터베이스 식별자

CAS
5521-55-1
PubChem CID
122831
DTXSID
DTXSID10203707
ChEMBL
CHEMBL126651
UNII
B861RS5NHI
EC Number
413-260-9、611-241-1
Nikkaji
J60.976E

물성

구조 계산 물성

XLogP
0.4
극성 표면적
63.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
10

물리화학적 성질

녹는점
167 · 167-171 °C(lit.)
끓는 점
253.51 °C · 253.51°C (rough estimate)
밀도
1.3471 · 1.3471 (rough estimate)
굴절률
1.51 · 1.5100 (estimate)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

Pale Brown Powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Danger

H315 (12.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 2건

Chemical: Pyrazinecarboxylic acid, 5-methyl-

Status: Active Update: 14-12-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12871

Hazard Classes and Categories · 4건

Skin Irrit. 2 (12.2%)

Eye Dam. 1 (100%)

Eye damage - category 1

Eye Dam. 1

안전 데이터

wgk
1
HS 번호
29339990
risk_code
41-36/37/38
hazard_code
Xi
safety_code
26-39-36
위험 참고 사항
Irritant

화학 및 산업

응용 분야 · 2건

용도5-Methyl-2-pyrazinecarboxylic acid may be used in the preparation of novel europium(III) complexes, (5-methyl-2-pyrazinecarboxylato) (phenanthroline)europium(III). It may be used in the synthesis of Ln-metal organic frameworks (MOFs).

일반 설명5-Methyl-2-pyrazinecarboxylic acid is a pyrazine derivative. Simultaneous membrane based solvent extraction (MBSE) and membrane based solvent stripping (MBSS) of 5-methyl-2-pyrazine carboxylic acid (MPCA) has been studied. Mechanism of pertraction of MPCA through layered bulk liquid membranes has been studied. MPCA reacts with Ln(NO3)3·6H2O and K4[W(CN)8]·2H2O to form unique three-dimensional network structure which contains open channels.

상·하류 제품 정보

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
新乡市百信化工有限公司15076321805 13373512662 · [email protected]

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