4,6-Dimethylpyrimidine-5-carboxylic acid

HCID 14922222CAS 157335-93-8

Basic information

Standard SMILES
Cc1ncnc(C)c1C(=O)O
InChIKey
SBJRXHBKPCHGQY-UHFFFAOYSA-N
Molecular formula
C7H8N2O2
Average molar mass
152.15 g/mol
Monoisotopic mass
152.0585775

Names & identifiers

Preferred name
4,6-Dimethylpyrimidine-5-carboxylic acid
IUPAC
4,6-dimethylpyrimidine-5-carboxylic acid
English name
4,6-Dimethylpyrimidine-5-carboxylic acid
Molecular formula
C7H8N2O2
Molecular weight
152.15

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
63.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Boiling point
319.7 · 319.7±37.0 °C(Predicted)
Density
1.257 · 1.257±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
0.78 · 0.78±0.32(Predicted)
Appearance
White to off-white Solid
CAS DataBase Reference
157335 · 157335-93-8(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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%)

Safety data

hs_code
2933599590
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

Uses4,6-Dimethylpyrimidine-5-carboxylic acid is a pharmaceutical intermediate compound used in the preparation of macrocyclic broad-spectrum antibiotics.

Suppliers50 total

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]

Related reactions

41 records

Linked notes

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