4-ブロモ-1-メチル-1H-ピラゾール-3-カルボン酸

4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid

HCID 536013

基本情報

CAS
84547-86-4
標準SMILES
Cn1cc(Br)c(C(=O)O)n1
InChIKey
LEEPGDCCHVRYHK-UHFFFAOYSA-N
分子式
C5H5BrN2O2
平均分子量
205.01 g/mol
単同位体質量
203.95344

名称と識別子

優先名称
4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid
IUPAC
4-bromo-1-methylpyrazole-3-carboxylic acid
現地名
4-ブロモ-1-メチル-1H-ピラゾール-3-カルボン酸
英語名
4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid
分子式
C5H5BrN2O2
分子量
205.01

名称と別名

4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid84547-86-4DTXSID90336744RefChem:290508DTXCID80287832673-163-44-bromo-1-methylpyrazole-3-carboxylic acid1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-MFCD004639884-bromo-1-methyl-pyrazole-3-carboxylic acidHMS1375E12STK315906
名称をさらに表示
4-ブロモ-1-メチル-1H-ピラゾール-3-カルボン酸4‐ブロモ‐1‐メチル‐1H‐ピラゾール‐3‐カルボン酸AKOS B000146TIMTEC-BB SBB000441RARECHEM AL BE 1005ART-CHEM-BB B000146
CS-W000417FS-13814-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid #4-bromo-1-methyl-1H-pyrazole-3-carboxylicacidChemDiv2_002212SCHEMBL1357926ALBB-004712SBB000441

データベース識別子

CAS
84547-86-4
PubChem CID
536013
DTXSID
DTXSID90336744
EC Number
673-163-4

物性

構造計算による物性

XLogP
0.8
極性表面積
55.1 Ų
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
1
重原子数
10

物理化学的性質

融点
211 · 211-213℃
沸点
347.4 · 347.4±27.0 °C(Predicted)
比重(密度)
1.93 · 1.93
貯蔵温度
2 · 2-8°C
酸解離定数(Pka)
2.7 · 2.70±0.10(Predicted)
CAS データベース
84547 · 84547-86-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];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, P317, 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 (100%);Acute Tox. 4 (50%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (50%);STOT SE 3 (100%)

安全データ

hs_code
2933199090
risk_code
22-36/37/38
hazard_code
Xi,Xn
safety_code
22-26-36/37/39
hazard_class
IRRITANT

化学と産業

サプライヤー69 社

毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

関連反応

4 件

化合物ノート

読み込み中…