2-ブロモ-3-ニトロ安息香酸

2-Bromo-3-nitrobenzoic acid

HCID 68452CAS 573-54-6
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(O)c1cccc([N+](=O)[O-])c1Br
InChIKey
WTDJEGSXLFHZPY-UHFFFAOYSA-N
分子式
C7H4BrNO4
平均分子量
246.01 g/mol
単同位体質量
244.93237

名称と識別子

優先名称
2-Bromo-3-nitrobenzoic acid
IUPAC
2-bromo-3-nitrobenzoic acid
現地名
2-ブロモ-3-ニトロ安息香酸
英語名
2-Bromo-3-nitrobenzoic acid
分子式
C7H4BrNO4
分子量
246.01

名称と別名

2-Bromo-3-nitrobenzoic acid573-54-6Benzoic acid, 2-bromo-3-nitro-EINECS 209-356-3AI3-03712NSC 9006DTXSID00205917RefChem:85685DTXCID30128408209-356-3WTDJEGSXLFHZPY-UHFFFAOYSA-NMFCD00074899
名称をさらに表示
2-ブロモ-3-ニトロ安息香酸2-ブロモ-3-ニトロ安息香酸 臭化物2-ブロモ-3-ニトロ安息香酸, 90%TIMTEC-BB SBB0031802-BROMO-3-NITROBENAOIC ACID3-nitro -2-broMo benzoic acid2-Bromo-3-carboxynitrobenzene2-Bromo-3-nitrobenzoic acid,95%2-Bromo-3-nitrobenzoic acid 95%2-Bromo-3-nitrobenzoic Acid >2-Bromo-3-nitrobenzoic acid, 90%
2-bromo-3-nitro-benzoic acidNSC9006NSC-9006BBL000668STK365754CS-W002315HY-W002315AC-3915

データベース識別子

CAS
573-54-6
PubChem CID
68452
DTXSID
DTXSID00205917
EC Number
209-356-3
Nikkaji
J94.982E

物性

構造計算による物性

XLogP
1.9
極性表面積
83.1 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
1
重原子数
13

物理化学的性質

融点
184 · 184-186 °C (lit.)
沸点
337.7 · 337.7±32.0 °C(Predicted)
比重(密度)
1.892 · 1.892±0.06 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
ジクロロメタン（微量）、DMSO（微量）
外見
個体

化学的性質

化学的特性Off-white to yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 43 reports by companies from 6 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

Regulatory InformationBenzoic acid, 2-bromo-3-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

法規制情報

Regulatory InformationBenzoic acid, 2-bromo-3-nitro-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
3
hs_code
29163990
risk_code
36/37/38
hazard_code
Xi
hazard_note
Irritant
safety_code
26-37/39

化学と産業

応用分野

用途有機合成原料。

使用2-Bromo-3-nitrobenzoic acid is used in preparation of 3-substituted 5-nitroisocoumarins1 and 2-bromo-3-nitrobenzaldehyde.

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]

関連反応

34 件
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関連ノート

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2-Bromo-3-nitrobenzoic acid (HCID 68452)｜化工社