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2,4,6-Trichloro-5-fluoropyrimidine

HCID 13388993
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
6693-08-9
Standard SMILES
Fc1c(Cl)nc(Cl)nc1Cl
InChIKey
XXBZSPPWTVRISV-UHFFFAOYSA-N
Molecular formula
C4Cl3FN2
Average molar mass
201.41 g/mol
Monoisotopic mass
199.911109

Names & identifiers

Preferred name
2,4,6-Trichloro-5-fluoropyrimidine
IUPAC
2,4,6-trichloro-5-fluoropyrimidine
English name
2,4,6-Trichloro-5-fluoropyrimidine
Molecular formula
C4Cl3FN2
Molecular weight
201.41

Names & synonyms

2,4,6-TRICHLORO-5-FLUOROPYRIMIDINE6693-08-9DTXSID60539088RefChem:245743DTXCID40489875MFCD11040435C4Cl3FN25-fluoro-2,4,6-trichloropyrimidinePyrimidine, 2,4,6-trichloro-5-fluoro-2,4,6-trichloro-5-fluoro-pyrimidineSCHEMBL2191042,4,6 trichloro-5-fluoropyrimidine
Show more names
17508302,4,6-Trichloro-5-fluoro-1,3-diazine2,4,6-TRICHLORO-5-FLUOROPYRIMIDINE ISO 9001:2015 REACH
YSZC377AMY5848AKOS015892464CS-W006901SB60629AC-23545DS-11816SY013420

Database identifiers

CAS
6693-08-9
PubChem CID
13388993
DTXSID
DTXSID60539088
EC Number
986-411-4

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
113

Physicochemical properties

Melting point
37 · 37-38℃
Boiling point
82 ℃ · 82℃ (11 Torr)
Density
1.737 · 1.737±0.06 g/cm3 (20 ºC 760 Torr)
Flash point
88.3 · 88.3±25.9℃
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
-8.26 · -8.26±0.39(Predicted)
Appearance
White to yellow Solid
InChI
InChI=1S/C4Cl3FN2/c5-2-1(8)3(6)10-4(7)9-2
InChIKey
XXBZSPPWTVRISV-UHFFFAOYSA-N
SMILES
C1(Cl)=NC(Cl)=C(F)C(Cl)=N1
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302+H312+H332-H315-H319-H335
Precautionary statements
261 · P261-P280-P305+P351+P338
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.

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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 (100%);Acute Tox. 4 (50%);Skin Corr. 1B (50%);Skin Irrit. 2 (50%);Skin Sens. 1A (50%);Eye Dam. 1 (50%);Eye Irrit. 2A (50%);Acute Tox. 4 (50%);STOT SE 3 (50%)

Safety data

hs_code
2933599590

Chemistry & industry

Upstream & downstream products

Upstream raw materials

4,6-Dichloro-2,5-difluoropyrimidine5-Fluorobarbituric acid

Downstream products

Pyrimidine, 4-chloro-2,5,6-trifluoro-

Suppliers92 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Wuhan Konberd Biotech Co., Ltd

Related reactions

17 records
New reaction record
HRID 415432 reaction equation
HRID 415432As reactantuspto-grants-2012_01
HRID 415442 reaction equation
HRID 415442As reactantuspto-grants-2012_01
HRID 573989 reaction equation
HRID 573989As reactantuspto-grants-2015_05
HRID 697634 reaction equation
HRID 697634As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 806894 reaction equation
HRID 806894As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1125311 reaction equation
HRID 1125311As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1231062 reaction equation
HRID 1231062As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1366383 reaction equation
HRID 1366383As reactantuspto-grants-2011_02
Page 1 of 3

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302+H312+H332-H315-H319-H335
Precautionary statements
P261-P280-P305+P351+P338
+undefined-18986093962 · [email protected]
南京腾怡生物科技有限公司17714337195 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [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]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
上海亮益精细化工有限公司021-62594801 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
越林试剂021-62960152 · [email protected]
广州康瑞泰药业有限公司020-82185713,82185709 13418171485 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
上海元符医药科技有限公司+86 (21) 5471-7132
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
南京克迪特贸易有限公司025-52164950 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
上海思言生物科技有限公司021-50908862,442785678,326799392 18721037013 · [email protected]
南京威凯尔生物医药科技有限公司025-58741518 13327700685 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
上海康曼生物科技有限公司18800375331 · [email protected]
上海相辉医药科技有限公司[email protected]