Basic information
- CAS
6589-37-3- Standard SMILES
Cc1cc(=O)n(C(C)(C)C)c(=O)[nH]1- InChIKey
ZXURPSNWUDKNAH-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.10552769
Overview
See other relationships...
Names & identifiers
- Preferred name
- 3-tert-Butyl-6-methyluracil
- IUPAC
- 3-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione
- English name
- 3-tert-butyl-6-methyluracil
- Molecular formula
- C9H14N2O2
- Molecular weight
- 182.22
Names & synonyms
3-tert-Butyl-6-methyluracilEINECS 229-522-9RefChem:505389229-522-96589-37-33-tert-butyl-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione3-(tert-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione3-tert-butyl-6-methyl-1H-pyrimidine-2,4-dioneCBDivE_001365starbld00380653-t-butyl-6-methyluracilSCHEMBL27054317
Show more names
3-tert-Butyl-6-methylpyrimidine-2,4(1H,3H)-dione3-(1,1-Dimethylethyl)-6-methylpyrimidine-2,4(1H,3H)-dione3-(1,1-Dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione2,4(1H,3H)-Pyrimidinedione, 3-(1,1-dimethylethyl)-6-methyl-
DTXSID70984363ZXURPSNWUDKNAH-UHFFFAOYSA-NAKOS023780078NS000462313-tert-Butyl-2-hydroxy-6-methylpyrimidin-4(3H)-oneF1967-7868
Database identifiers
- CAS
6589-37-3- PubChem CID
- 81065
- DTXSID
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses3-tert-butyl-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione (cas# 6589-37-3) is an intermediate in the synthesis of 3-tert-Butyl-5-chloro-6-hydroxymethyluracil (B997095), a metabolite of Terbacil herbicides in plants, animal tissues and in soil.
Suppliers1 total
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
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Compound notes
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