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Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

HCID 2735989
NotesReactions

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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
175137-29-8
Standard SMILES
O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)F
InChIKey
RJHJVPJLOZDZSJ-UHFFFAOYSA-N
Molecular formula
C13H8ClF3N2O2
Average molar mass
316.666 g/mol
Monoisotopic mass
316.02263984

Names & identifiers

Preferred name
Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
IUPAC
Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
English name
Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
Molecular formula
C13H8ClF3N2O2
Molecular weight
316.66

Names & synonyms

BUTTPARK 46\18-08Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylateBenzyl2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate97%Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate 97%5-Pyrimidinecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, phenylmethyl esterBENZYL 2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE ISO 9001:2015 REACH

Database identifiers

CAS
175137-29-8
PubChem CID
2735989
DTXSID
DTXSID40371069
EC Number
671-976-9

Properties

Physicochemical properties

Melting point
45 °C · 45 °C
Boiling point
437.7 · 437.7±45.0 °C(Predicted)
Density
1.439 · 1.439±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
-5.8 · -5.80±0.29(Predicted)
CAS DataBase Reference
175137 · 175137-29-8(CAS DataBase Reference)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
280 · P280-P261-P271
Hazard Codes
Xi
Safety Statements
24 · 24/25
Hazard Note
Irritant
HS Code
2933599590 · 2933599590

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

hs_code
2933599590
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
safety_code
24/25
Hazard statements
H315-H319-H335
Precautionary statements
P280-P261-P271

Chemistry & industry

Suppliers17 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

4 records
New reaction record
HRID 163670 reaction equation
HRID 163670As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 393481 reaction equation
HRID 393481As reactantuspto-grants-2004_10
HRID 1282651 reaction equation
HRID 1282651As reactantuspto-grants-2002_09
HRID 1868368 reaction equation
HRID 1868368As reactantuspto-grants-2009_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
DAYANG CHEM (HANGZHOU) CO.,LTD
+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]