1-(4-ブロモフェニル)-5-メチル-1H-ピラゾール-4-カルボン酸

1-(4-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid

HCID 2769586

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 187998-44-3
標準SMILES: Cc1c(C(=O)O)cnn1-c1ccc(Br)cc1
InChIKey: XHUOEOFQYJPQOZ-UHFFFAOYSA-N
分子式: C11H9BrN2O2
平均分子量: 281.1 g/mol
単同位体質量: 279.98474

名称と識別子

優先名称: 1-(4-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
IUPAC: 1-(4-bromophenyl)-5-methylpyrazole-4-carboxylic acid
現地名: 1-(4-ブロモフェニル)-5-メチル-1H-ピラゾール-4-カルボン酸
英語名: 1-(4-Bromo-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
分子式: C11H9BrN2O2
分子量: 281.11

名称と別名

1-(4-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid187998-44-3DTXSID10377775RefChem:224910DTXCID103288031-(4-bromophenyl)-5-methylpyrazole-4-carboxylic acidMFCD041227581-(4-Bromo-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid1H-Pyrazole-4-carboxylic acid, 1-(4-bromophenyl)-5-methyl-SCHEMBL23976951-(4-bromophenyl)-5-methyl-pyrazole-4-carboxylic AcidXHUOEOFQYJPQOZ-UHFFFAOYSA-N

名称をさらに表示

1-(4-ブロモフェニル)-5-メチル-1H-ピラゾール-4-カルボン酸1-(4-Bromo-phenyl)-5-methyl-1H-pyrazole-4-

BBL011227AKOS000143927SY167845VS-02892CS-0204365EN300-29442C91568F023348

データベース識別子

CAS: 187998-44-3
PubChem CID: 2769586
DTXSID: DTXSID10377775
EC Number: 674-154-8

物性

構造計算による物性

XLogP: 2.5
極性表面積: 55.1 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 267

物理化学的性質

融点: 213 °C · 213 °C
沸点: 422.4 · 422.4±35.0 °C(Predicted)
比重(密度): 1.61 · 1.61±0.1 g/cm3(Predicted)
酸解離定数(Pka): 3.29 · 3.29±0.25(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

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 H315

化学と産業

サプライヤー10 社

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海技毅生物科技有限公司13621943973 · [email protected]

上海堃睿化工科技有限公司+86-021-50935922

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]

化合物ノート

読み込み中…