Methyl 5-(bromomethyl)pyrazine-2-carboxylate

HCID 21973569

基本情報

CAS
193966-70-0
標準SMILES
COC(=O)c1cnc(CBr)cn1
InChIKey
OIGRHUBIDWZLHR-UHFFFAOYSA-N
分子式
C7H7BrN2O2
平均分子量
231.05 g/mol
単同位体質量
229.96909

名称と識別子

優先名称
Methyl 5-(bromomethyl)pyrazine-2-carboxylate
IUPAC
methyl 5-(bromomethyl)pyrazine-2-carboxylate
英語名
Methyl-5-(bromomethyl)pyrazine-2-carboxylate
分子式
C7H7BrN2O2
分子量
231.04668

名称と別名

METHYL 5-(BROMOMETHYL)PYRAZINE-2-CARBOXYLATE193966-70-0DTXSID00620989RefChem:355935DTXCID80571743889-754-7MFCD16036651Methyl-5-(bromomethyl)pyrazine-2-carboxylateSCHEMBL480161Pyrazinecarboxylic acid, 5-(bromomethyl)-, methyl esterAMY12057AKOS015920372
名称をさらに表示
pyrazine-2-carboxylateMethyl 5-(bromomethyl)
SCHEMBL31390501CS-W019653DS-13618SY107685DB-125282F0782425-Bromomethyl-pyrazine-2-carboxylic acid methyl ester

データベース識別子

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

物性

構造計算による物性

XLogP
0.4
極性表面積
52.1 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
3
重原子数
12

物理化学的性質

貯蔵温度
2 · under inert gas (nitrogen or Argon) at 2-8°C
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

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%);Skin Corr. 1B (50%);STOT SE 3 (50%)

安全データ

注意喚起語
警告
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302

化学と産業

上流・下流製品情報

サプライヤー41 社

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]

関連反応

8 件

化合物ノート

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