4,6-Dimethylpyrimidine-5-carboxylic acid

HCID 14922222

기본 정보

CAS
157335-93-8
표준 SMILES
Cc1ncnc(C)c1C(=O)O
InChIKey
SBJRXHBKPCHGQY-UHFFFAOYSA-N
분자식
C7H8N2O2
평균 분자량
152.15 g/mol
단동위원소 질량
152.0585775

이름 및 식별자

우선 이름
4,6-Dimethylpyrimidine-5-carboxylic acid
IUPAC
4,6-dimethylpyrimidine-5-carboxylic acid
영어명
4,6-Dimethylpyrimidine-5-carboxylic acid
분자식
C7H8N2O2
분자량
152.15

이름 및 동의어

4,6-Dimethylpyrimidine-5-carboxylic acid157335-93-84,6-DIMETHYL-5-PYRIMIDINECARBOXYLIC ACIDDTXSID40565466RefChem:508153DTXCID50516242802-216-8MFCD077875455-PYRIMIDINECARBOXYLIC ACID, 4,6-DIMETHYL-4,6-dimethylpyrimidine-5-carboxylicacidSCHEMBL410293AMY7981
이름 더 보기
5-Carboxy-4,6-dimethylpyrimidine4,6-Dimethylpyrimidine-5-carboxylicaci4,6-dimethyl 5-pyrimidine carboxylic acid5-PyriMidinecarboxylicacid, 4,6-diMethyl-4,6-DIMETHYLPYRIMIDINE-5-CARBOXYLIC ACID ,98%4,6-dimethylpyrimidine-5-carboxylic acid - [D20471]4,6-Dimethylpyrimidine-5-carboxylic acid ISO 9001:2015 REACH5-Carboxy-4,6-dimethylpyrimidine, 5-Carboxy-4,6-dimethyl-1,3-diazine
5-pyrimidinecarboxylicacid,4,6-dimethyl-(9ci)MFCD07787AC-372SBB053227AKOS012039530AB42986CS-W022062PS-5510

데이터베이스 식별자

CAS
157335-93-8
PubChem CID
14922222
DTXSID
DTXSID40565466
EC Number
802-216-8

물성

구조 계산 물성

XLogP
0.5
극성 표면적
63.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
11

물리화학적 성질

끓는 점
319.7 · 319.7±37.0 °C(Predicted)
밀도
1.257 · 1.257±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
산도 계수 (pKa)
0.78 · 0.78±0.32(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): 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, 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 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (50%);STOT SE 3 (100%)

안전 데이터

HS 번호
2933599590

화학 및 산업

응용 분야

용도4,6-Dimethylpyrimidine-5-carboxylic acid is a pharmaceutical intermediate compound used in the preparation of macrocyclic broad-spectrum antibiotics.

공급사95 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]

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41건

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