CAS 302800-13-1 5-bromo-N-methyl-2-nitroaniline (HCID 10609530)

基本情報

CAS: 302800-13-1
標準SMILES: CNc1cc(Br)ccc1[N+](=O)[O-]
InChIKey: FTVGSRGPTYFWRQ-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: 5-bromo-N-methyl-2-nitroaniline
IUPAC: 5-bromo-N-methyl-2-nitroaniline
英語名: (5-Bromo-2-nitro-phenyl)-methyl-amine
分子式: C7H7BrN2O2
分子量: 231.05

名称と別名

5-BROMO-N-METHYL-2-NITROANILINE302800-13-1DTXSID30442474RefChem:534015DTXCID30393295999-233-7(5-Bromo-2-nitro-phenyl)-methyl-amineBenzenamine, 5-bromo-N-methyl-2-nitro-MFCD098625135-BROMO-N-METHYL-2-NITRO-BENZENAMINESCHEMBL626410CMA80013

名称をさらに表示

BenzenaMine, 5-broMo-N-Me...5-broMo-N-Methyl-2-nitrobenzenaMine4-Bromo-2-methylamino-1-nitrobenzene

5-bromo-N-methyl-2-nitro-aniline5-Bromo-N-methyl-2SCHEMBL29569609AKOS014676655AKOS034830292PB16194BS-22252SY042216

データベース識別子

CAS: 302800-13-1
PubChem CID: 10609530
DTXSID: DTXSID30442474
EC Number: 999-233-7

物性

構造計算による物性

XLogP: 2.9
極性表面積: 57.9 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: 1
重原子数: 12
形式電荷: 0
複雑度: 171

物理化学的性質

融点: 115 · 115-116 °C
沸点: 327.5 · 327.5±32.0 °C(Predicted)
比重(密度): 1.687 · 1.687
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): -1.33 · -1.33±0.25(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.