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2-Nitrobenzoic acid

HCID 178952565
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
104810-18-6
標準SMILES
O=C(O)c1ccccc1[N+](=O)[O-]
InChIKey
SLAMLWHELXOEJZ-UHFFFAOYSA-N
分子式
C7H5NO4
平均分子量
167.12 g/mol

概要

Yellowish white crystals with an intensely sweet taste. (NTP, 1992)

名称と識別子

優先名称
2-Nitrobenzoic acid
IUPAC
2-nitrobenzoic acid
英語名
2-Nitrobenzoic acid-(ring-UL-14C)
分子式
C7H5NO4
分子量
167.12

名称と別名

2-NITROBENZOIC ACID552-16-9o-Nitrobenzoic acidBenzoic acid, 2-nitro-DTXSID5025738ortho-nitrobenzoic acidCCRIS 2334S6S4653K7ZNSC 9576EINECS 209-004-9DTXCID005738AI3-08821
名称をさらに表示
2-Nitrobenzoic acid-(ring-UL-14C)
NSC-9576UNII-S6S4653K7ZNITROBENZOIC ACID, 2-CCRIS-2334CHEBI:25620oNitrobenzoic acidoCarboxynitrobenzeneNitrobenzoicacid, o

データベース識別子

CAS
104810-18-6
ChEMBL
CHEMBL114719
ChEBI
CHEBI:25620
UNII
S6S4653K7Z
EC Number
209-004-9
Nikkaji
J1.389.648H、J1.613F

物性

構造計算による物性

XLogP
1.5
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
12
形式電荷
0
複雑度
198

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitrobenzoic Acids
SpringerMaterials PropertiesChemical shift
LogP1.46
Density1.575 at 68 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Melting Point297 to 298 °F (NTP, 1992)
Vapor Pressure0.0000714 [mmHg]
Physical Description · 2 件

Yellowish white crystals with an intensely sweet taste. (NTP, 1992)

Yellowish-white solid; [CAMEO] Off-white powder; [Alfa Aesar MSDS]

Ionization Efficiency · 6 件

Positive

1.57

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

物理化学的性質

貯蔵温度

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 70 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 Information · 2 件

Chemical: Benzoic acid, 2-nitro-

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

Fire HazardsFlash point data concerning this compound are not available, however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When this compound is heated to decomposition it emits very toxic fumes. (NTP, 1992)
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Benzoic acid and Nitrobenzene. See 3-Nitrobenzoic acid.
Reactive GroupAcids, Carboxylic
Reactivity ProfileO-NITROBENZOIC ACID is incompatible with strong oxidizing agents. Also incompatible with strong bases. May react with cyanides (NTP, 1992).
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

化学と産業

用途と製造

UsesUsed as a reagent for protection of amine groups and in organic synthesis; [NTP]
General Manufacturing InformationBenzoic acid, 2-nitro-: ACTIVE

関連反応

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化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
2 · 2-8°C
外見
個体

安全と保護具

Fire FightingFires involving this compound can 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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a 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.

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

wgk
3
ridadr
UN 2910 7
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36