N-Bromoacetamide (HCID 4353)

概要

N-bromoacetamide is a white powder. (NTP, 1992)

名称と識別子

優先名称: N-Bromoacetamide
IUPAC: N-bromoacetamide
現地名: N-ブロモアセトアミド
英語名: N-Bromoacetamide
分子式: C2H4BrNO
分子量: 137.96

名称と別名

n-bromoacetamide79-15-2Acetamide, N-bromo-Acetobromamide0AQ6MWH7ZBDTXSID5024633RefChem:163002DTXCID704633201-181-0MFCD00037097Acetobromamide; NBACCRIS 4590

名称をさらに表示

N-ブロモアセトアミドアセトブロモアミドN-Bromacetamidn-bromo-acetamidNBAAcetobromamideN-Bromoacetamide-95%N-Bromoacetamide >N-BROMOACETAMIDE (NBA)

EINECS 201-181-0UNII-0AQ6MWH7ZBN-bromo-acetamideN-Bromoacetamide, powderLopac-B-2377SCHEMBL1658Lopac0_000191N-BROMOACETAMIDE [MI]

データベース識別子

CAS: 79-15-2
PubChem CID: 4353
DTXSID: DTXSID5024633
ChEMBL: CHEMBL1256514
UNII: 0AQ6MWH7ZB
EC Number: 201-181-0
Nikkaji: J4.228E

物性

構造計算による物性

XLogP: 0.1
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 5
形式電荷: 0
複雑度: 44.9

実験および物理化学的性質

SpringerMaterials PropertiesCrystal structure

Solubilitygreater than or equal to 100 mg/mL at 72 °F (NTP, 1992)

Melting Point226 °F (NTP, 1992)

Physical DescriptionN-bromoacetamide is a white powder. (NTP, 1992)

物理化学的性質

融点: 102 · 102-105°C
沸点: 127 · 127-130 °C(Press: 16 Torr)
比重(密度): 1.7 · 1.7000 (rough estimate)
屈折率: 1.474 · 1.4740 (estimate)
貯蔵温度: -20 °C · -20°C
溶解性: very slightly in Chloroform
酸解離定数(Pka): 9.41 · 9.41±0.46(Predicted)
外見: 粉
色: 白から黄色
由来生物: synthetic (organic)
水溶解度: 水に溶ける。
Merck: 14 · 14,1398
BRN: 969346 · 969346
InChI: 1S/C2H4BrNO/c1-2(5)4-3/h1H3,(H,4,5)
InChIKey: VBTQNRFWXBXZQR-UHFFFAOYSA-N
SMILES: CC(=O)NBr
CAS データベース: 79 · 79-15-2(CAS DataBase Reference)
EPAの化学物質情報: N-Bromoacetamide (79-15-2)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: Acetamide, N-bromo-

DOT LabelCorrosive

Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)

Health HazardsSYMPTOMS: This compound may cause irritation of tissues on contact. Related compounds such as bromoacetate are highly toxic and may cause fatal cardiac arrhythmias and delayed seizures.

Reactive GroupAmides and Imides

Reactivity ProfileN-BROMOACETAMIDE is sensitive to light, moisture, and heat. (NTP, 1992). It decomposes rapidly at elevated temperatures, in the presence of moisture and light.

安全と保護具

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

F: 8
wgk: 3
tsca: TSCA listed
ridadr: 3261
hs_code: 29299090
risk_code: 36/37/38
化審法: (2)-719
hazard_code: Xi
safety_code: 26-36
hazard_class: 8
packing_group: III
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological ClassificationAgents destructive to snails and other mollusks.

用途と製造

General Manufacturing InformationAcetamide, N-bromo-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用Abolishes the rapid inactivation of membrane sodium- and potassium-ion channels.

一般的な説明White powder.

調製方法 · 1 件

純化方法A possible contaminant is CH3CONBr2. Recrystallise it from CHCl3/hexane (1:1, seed if necessary) or water and dry over CaCl2. It is a brominating agent. [Oliveto & Gerold Org Synth Coll Vol IV 104 1963.] Alternatively, dissolve it in the minimum volume of warm H2O (60o), then cool in an ice bath, collect the crystals and dry them in an anhydrous atmosphere, dissolve in Et2O, chill and evaporate till crystallisation. Dry the crystals in vacuo at 25o, then at 45o (m 108o). Crystallise from CHCl3 (m 103o). Estimate the available Br iodometrically [Buckles et al. J Org Chem 23 483 1958]. [Beilstein 2 H 181, 2 I 82, 2 II 180, 2 III 406, 2 IV 417.]