2,4-ジメチルニトロベンゼン

4-Nitro-m-xylene

HCID 6991CAS 89-87-2

基本情報

標準SMILES
Cc1ccc([N+](=O)[O-])c(C)c1
InChIKey
BBUPBICWUURTNP-UHFFFAOYSA-N
分子式
C8H9NO2
平均分子量
151.16 g/mol
単同位体質量
151.06332853

概要

1,3-dimethyl-4-nitrobenzene is a light yellow to amber liquid. (NTP, 1992)

名称と識別子

優先名称
4-Nitro-m-xylene
IUPAC
2,4-dimethyl-1-nitrobenzene
現地名
2,4-ジメチルニトロベンゼン
英語名
4-Nitro-1,3-dimethylbenzene
分子式
C8H9NO2
分子量
151.16

名称と別名

4-NITRO-M-XYLENE2,4-Dimethyl-1-nitrobenzene1,3-Dimethyl-4-nitrobenzeneBenzene, 2,4-dimethyl-1-nitro-2,4-DimethylnitrobenzeneNSC 50661CCRIS 3120DTXSID2025135EINECS 201-947-4UNII-7EM84EUE057EM84EUE05NSC-50661
名称をさらに表示
2,4-ジメチルニトロベンゼン1-ニトロ-2,4-ジメチルベンゼン2,4-ジメチル-1-ニトロベンゼン4-ニトロ-m-キシレン1,3-ジメチル-6-ニトロベンゼン1,3-ジメチル-4-ニトロベンゼン4‐ニトロ‐M‐キシレンNitromxylenem-Nitroxylene4-Nitro-m-xylol2,4-Nitroxylenem-xylene,4-nitro-4-Nitro-1,3-xylol4-Nitro-1,3-xylene
DTXCID605135EC 201-947-4DIMETHYL-4-NITROBENZENE, 1,3-RefChem:100030201-947-4BBUPBICWUURTNP-UHFFFAOYSA-N89-87-24-Nitro-1,3-dimethylbenzene

データベース識別子

CAS
89-87-2
PubChem CID
6991
DTXSID
DTXSID2025135
ChEMBL
CHEMBL3182934
UNII
7EM84EUE05
EC Number
201-947-4
Nikkaji
J44.130I

物性

構造計算による物性

XLogP
2.7
極性表面積
45.8 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
0
重原子数
11

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point
Density1.135 at 59 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Flash Point225 °F (NTP, 1992)
Boiling Point459 to 462 °F at 760 mmHg (NTP, 1992)
Melting Point36 °F (NTP, 1992)

物理化学的性質

融点
7 · 7-9 °C(lit.)
沸点
244 °C · 244 °C(lit.)
比重(密度)
1.117 g/mL · 1.117 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.549(lit.)
闪点
225 °F · 225 °F
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性yellow to amber or deep yellow-green liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (98.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 149 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationStatus: Cease Manufacture Update: 14-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/12516
DOT LabelPoison
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eye, mucous membrane and upper respiratory tract and cyanosis. Similar chemicals cause methemoglobinemia.
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile1,3-DIMETHYL-4-NITROBENZENE is incompatible with strong oxidizing agents and strong bases (NTP, 1992).

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide, or Halon extinguisher. A water spray may also be used. (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 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% 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 60-70% 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.

Isolation and EvacuationExcerpt from ERG Guide 152 [Substances - Toxic (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

wgk
2
tsca
TSCA listed
ridadr
UN 1665 6.1/PG 2
hs_code
29042000
risk_code
22-20/21/22-36/37/38-23/24/25
化審法
(3)-399

化学と産業

用途と製造

General Manufacturing InformationBenzene, 2,4-dimethyl-1-nitro-: ACTIVE

応用分野

一般的な説明Light yellow to amber liquid.

サプライヤー16 社

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関連反応

4 件

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