CAS 26387-66-6 2-Bromo-3-(dimethylamino)prop-2-enal (HCID 57370032)

基本情報

CAS: 26387-66-6
標準SMILES: CN(C)C=C(Br)C=O
InChIKey: ACBSCWFIKSDJLP-UHFFFAOYSA-N
分子式: C5H8BrNO
平均分子量: 178.03 g/mol
単同位体質量: 176.97893

名称と識別子

優先名称: 2-Bromo-3-(dimethylamino)prop-2-enal
IUPAC: 2-bromo-3-(dimethylamino)prop-2-enal
現地名: 2-ブロモ-3-(ジメチルアミノ)アクロレイン
英語名: 2-Bromo-3-(dimethylamino)acrolein
分子式: C5H8BrNO
分子量: 178.03

名称と別名

26387-66-62-bromo-3-(dimethylamino)prop-2-enalDTXSID60724593RefChem:257025DTXCID006753382-Propenal, 2-bromo-3-(dimethylamino)-MFCD12923222SCHEMBL16701702-bromo-3-dimethylamino-acrolein3-dimethylamino-2-bromo-propenalACBSCWFIKSDJLP-UHFFFAOYSA-NAKOS026726717

名称をさらに表示

2-ブロモ-3-(ジメチルアミノ)アクロレイン2-Bromo-3-(dimethylamino)acrolein2-Bromo-3-(dimethylamino)acrylaldehyde2-Bromo-3-(diMethylamino)acrylonitrile2-Bromo-3-(dimethylamino)acrolein, CAS 26387-66-6

DB-251359

データベース識別子

CAS: 26387-66-6
PubChem CID: 57370032
DTXSID: DTXSID60724593
EC Number: 631-086-3

物性

構造計算による物性

XLogP: 1
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 109

物理化学的性質

融点: 67 · 67-72 °C
沸点: 319.2 · 319.2±32.0 °C(Predicted)
比重(密度): 1.456 · 1.456±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C
酸解離定数(Pka): 2.71 · 2.71±0.70(Predicted)
外見: powder
InChI: 1S/C5H8BrNO/c1-7(2)3-5(6)4-8/h3-4H,1-2H3/b5-3-
InChIKey: ACBSCWFIKSDJLP-HYXAFXHYSA-N
SMILES: CN(C)\C=C(/Br)C=O

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P342+P316, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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. 3 (100%)；Skin Corr. 1B (100%)；Resp. Sens. 1 (100%)

安全データ

wgk: 3
ridadr: UN 2923 8/PG 3
risk_code: 25-34-43
hazard_code: T
safety_code: 26-36/37/39-45
Hazard Classifications: Acute Tox. 3 OralResp. Sens. 1Skin Corr. 1B
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

サプライヤー16 社

陕西科贝莱药物研发有限公司13119135307 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]

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

Aladdin Scientific[email protected]

化合物ノート

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