Basic information
- CAS
849751-48-0- Standard SMILES
CC(C)(C)OC(=O)Nc1ccnc(Cl)n1- InChIKey
KZWYURZXVHDRKB-UHFFFAOYSA-N- Molecular formula
- C9H12ClN3O2
- Average molar mass
- 229.66 g/mol
- Monoisotopic mass
- 229.0618043
Names & identifiers
- Preferred name
- tert-Butyl (2-chloropyrimidin-4-yl)carbamate
- IUPAC
- tert-butyl N-(2-chloropyrimidin-4-yl)carbamate
- English name
- tert-butyl N-(2-chloropyrimidin-4-yl)carbamate
- Molecular formula
- C9H12ClN3O2
- Molecular weight
- 229.66
Names & synonyms
tert-Butyl (2-chloropyrimidin-4-yl)carbamate849751-48-0TERT-BUTYL N-(2-CHLOROPYRIMIDIN-4-YL)CARBAMATEMFCD160365114-(Boc-amino)-2-chloropyrimidineSCHEMBL4648083DTXSID701214316AKOS027370522SB60732AS-66166SY271806DB-432605
Show more names
CS-0102855tert-Butyl(2-chloropyrimidin-4-yl)carbamateC76718EN300-3266774F5441201,1-Dimethylethyl N-(2-chloro-4-pyrimidinyl)carbamateCarbamic acid, N-(2-chloro-4-pyrimidinyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
849751-48-0- PubChem CID
- 53420006
- DTXSID
DTXSID701214316
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 320.8 · 320.8±15.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 10.66 · 10.66±0.70(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers26 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
成都市佳和彬科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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