2-ニトロ安息香酸

化学名:2-ニトロ安息香酸

CAS番号.552-16-9

英語名:2-Nitrobenzoic acid

CBNumberCB9853809

MFC7H5NO4

MW167.12

别名

2-ニトロ安息香酸

o-ニトロ安息香酸

ｏニトロ安息香酸

2-ニトロ安息香酸物理性質

融点	146-148 °C(lit.)
沸点	295.67°C (rough estimate)
比重(密度)	1,58 g/cm³
屈折率	1.6280 (estimate)
貯蔵温度	Sealed in dry,Room Temperature
溶解性	7.8g/リットル
酸解離定数(Pka)	2.16(at 18℃)
外見	微粉
比重	1.58
色	オフホワイト
水溶解度	6.8g/リットル
Merck	14,6588
BRN	1910632
安定性：	安定。強酸化剤、強塩基とは相容れない。
InChI	1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChIKey	SLAMLWHELXOEJZ-UHFFFAOYSA-N
SMILES	OC(=O)c1ccccc1[N+]([O-])=O
CAS データベース	552-16-9(CAS DataBase Reference)
NISTの化学物質情報	Benzoic acid, 2-nitro-(552-16-9)
EPAの化学物質情報	o-Nitrobenzoic acid (552-16-9)

安全性情報

危険有害性情報のコード(GHS)

外観
白色～うすい褐色, 結晶性粉末～粉末
溶解性
水に不溶, エタノール, エーテルに可溶。エタノール及びアセトンに溶けやすく、水にほとんど溶けない。
化学的特性
off-white powder
使用
2-Nitrobenzoic Acid is used as a reagent in the synthesis of several organic compounds including that of novel triazoles and a tetrazole of escitalopram which act as cholinesterase inhibitors. It is also used in the one pot synthesis of 1,4-disubstituted 1,2,3-triazoles.
定義
ChEBI: A nitrobenzoic acid carrying the nitro substituent at position 2.
一般的な説明
Yellowish white crystals with an intensely sweet taste.
空気と水の反応
Insoluble in water.
反応プロフィール
2-Nitrobenzoic acid is incompatible with strong oxidizing agents. Also incompatible with strong bases. May react with cyanides .
健康ハザード
ACUTE/CHRONIC HAZARDS: When 2-Nitrobenzoic acid is heated to decomposition it emits very toxic fumes.
火災危険
Flash point data concerning 2-Nitrobenzoic acid are not available, however, 2-Nitrobenzoic acid is probably combustible.
純化方法
Crystallise the acid from *benzene (twice), n-butyl ether (twice), then water (twice). Dry and store it in a vacuum desiccator. [Le Noble & Wheland J Am Chem Soc 80 5397 1958.] It has also been crystallised from EtOH/H2O. The amide has m 176.5o (from H2O). [Beilstein 9 III 1466, 9 IV 1046.]

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