HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Methyl 5-(bromomethyl)pyrazine-2-carboxylate

HCID 21973569
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
193966-70-0
Standard SMILES
COC(=O)c1cnc(CBr)cn1
InChIKey
OIGRHUBIDWZLHR-UHFFFAOYSA-N
Molecular formula
C7H7BrN2O2
Average molar mass
231.05 g/mol
Monoisotopic mass
229.96909

Names & identifiers

Preferred name
Methyl 5-(bromomethyl)pyrazine-2-carboxylate
IUPAC
methyl 5-(bromomethyl)pyrazine-2-carboxylate
English name
Methyl-5-(bromomethyl)pyrazine-2-carboxylate
Molecular formula
C7H7BrN2O2
Molecular weight
231.04668

Names & synonyms

METHYL 5-(BROMOMETHYL)PYRAZINE-2-CARBOXYLATE193966-70-0DTXSID00620989RefChem:355935DTXCID80571743889-754-7MFCD16036651Methyl-5-(bromomethyl)pyrazine-2-carboxylateSCHEMBL480161Pyrazinecarboxylic acid, 5-(bromomethyl)-, methyl esterAMY12057AKOS015920372
Show more names
pyrazine-2-carboxylateMethyl 5-(bromomethyl)
SCHEMBL31390501CS-W019653DS-13618SY107685DB-125282F0782425-Bromomethyl-pyrazine-2-carboxylic acid methyl ester

Database identifiers

CAS
193966-70-0
PubChem CID
21973569
DTXSID
DTXSID00620989
EC Number
889-754-7

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
52.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
12
Formal charge
0
Complexity
165

Physicochemical properties

storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance
White to off-white Solid
InChI
InChI=1S/C7H7BrN2O2/c1-12-7(11)6-4-9-5(2-8)3-10-6/h3-4H,2H2,1H3
InChIKey
OIGRHUBIDWZLHR-UHFFFAOYSA-N
SMILES
C1(C(OC)=O)=NC=C(CBr)N=C1
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, 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.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;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 (50%);Skin Corr. 1B (50%);STOT SE 3 (50%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

METHYL 5-METHYLPYRAZINE-2-CARBOXYLATE

Suppliers41 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Aladdin Scientific[email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
洛阳佳得康化工科技有限公司16668001218 · [email protected]
赛纳斯特化学(欢迎点击联系)021-60343070
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
Suzhou Laing Biotechnology Co.,Ltd+86-13004516015 +86-18149392822 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
山东鸿图生物科技有限公司15966937598 · [email protected]
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
苏州沃尔森生物科技有限公司18934576691 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
四川铂友生物科技有限公司(原四川佰朋)028-65791793 18140026355 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]

Related reactions

8 records
New reaction record
HRID 97288 reaction equation
HRID 97288As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 152766 reaction equation
HRID 152766As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1095937 reaction equation
HRID 1095937As reactantuspto-grants-2012_03
HRID 1387079 reaction equation
HRID 1387079As reactantuspto-grants-2001_07
HRID 2128547 reaction equation
HRID 2128547As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2322358 reaction equation
HRID 2322358As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)
HRID 2373851 reaction equation
HRID 2373851As productuspto-grants-2008_12
HRID 2373852 reaction equation
HRID 2373852As reactantuspto-grants-2008_12

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes