ニトロシクロヘキサン

Nitrocyclohexane

HCID 14285CAS 1122-60-7

基本情報

標準SMILES
O=[N+]([O-])C1CCCCC1
InChIKey
NJNQUTDUIPVROZ-UHFFFAOYSA-N
分子式
C6H11NO2
平均分子量
129.16 g/mol
単同位体質量
129.07897859

概要

Nitrocyclohexane is a colorless liquid. (EPA, 1998)

名称と識別子

優先名称
Nitrocyclohexane
IUPAC
nitrocyclohexane
現地名
ニトロシクロヘキサン
英語名
Nitrocyclohexane
分子式
C6H11NO2
分子量
129.16

名称と別名

NITROCYCLOHEXANECyclohexane, nitro-1-nitrocyclohexaneCCRIS 7162HSDB 6414EINECS 214-354-0NSC 66277UNII-LL1X024M73BRN 0907243AI3-14828LL1X024M73NSC-66277
名称をさらに表示
ニトロシクロヘキサン1-ニトロシクロヘキサンヘキサヒドロニトロベンゼンNSC66277ai3-14828[qr]nitro-cyclohexanNitrocyclohexane>HEXAHYDRONITROBENZENE
DTXSID6061529CHEBI:741644-05-00-00081 (Beilstein Handbook Reference)Cyclohexane, nitroRefChem:166088DTXCID7033284214-354-0NJNQUTDUIPVROZ-UHFFFAOYSA-N

データベース識別子

CAS
1122-60-7
PubChem CID
14285
DTXSID
DTXSID6061529
ChEMBL
CHEMBL4590012
ChEBI
CHEBI:74164
UNII
LL1X024M73
EC Number
214-354-0
Nikkaji
J72.712A

物性

構造計算による物性

XLogP
1.8
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
9

実験および物理化学的性質

Chemical Classes · 2 件

Nitrogen Compounds -> Nitros, Aliphatic

Flammable agents - 2nd degree

SpringerMaterials PropertiesChemical shift
Density · 3 件

1.061 at 68 °F (EPA, 1998) - Denser than water; will sink

1.0610 at 20 °C/4 °C

1.0610 @ 20°C

SolubilitySol in alcohol, ligroin
Boiling Point · 3 件

401.9 °F at 768 mmHg (EPA, 1998)

205.5 °C at 768 mm Hg

205.5 °C @760 [mm Hg]

Melting Point · 3 件

-29 °F (EPA, 1998)

Freezing point: -34 °C

-34 °C

物理化学的性質

融点
34 °C · −34 °C(lit.)
沸点
205.5 · 205.5-206 °C768 mm Hg(lit.)
比重(密度)
1.061 g/mL · 1.061 g/mL at 25 °C(lit.)
蒸気密度
4.46 · 4.46 (vs air)
蒸気圧
768 mm · 768 mm Hg ( 205 °C)
屈折率
20 · n20/D 1.462(lit.)

化学的性質

化学的特性Nitrocyclohexane is a highly flammable, colorless liquid.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison Inhalation Hazard
Fire HazardsExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Hazards Summary · 1 件

No reports of human poisoning cases found; Causes seizures and liver injury in animal studies; [HSDB] At lethal concentrations, inhalation causes excitement, somnolence, muscle contractions, and fatty liver degeneration in mice; Causes convulsions in rats after feeding lethal doses; [RTECS] A strong oxidizing agent; [CAMEO] Highly toxic by inhalation; Effects in high-dose animal studies include convulsions; An irritant; [MSDSonline]

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

安全と保護具

Fire Fighting · 1 件

(Non-Specific -- Poisonous Liquid, n.o.s.) Move container from fire area if you can do it without risk. Keep unnecessary people away; isolate hazard area and deny entry. Stay upwind; keep out of low areas. Wear positive pressure breathing apparatus and special protective clothing.

First AidNote: No information on specific clinical effects of exposure was available.
Nonfire Spill Response(Non-Specific -- Poisonous Liquid, n.o.s.) Do not touch spilled material; stop leak if you can do so without risk. Use water spray to reduce vapors. Absorb small spills with sand or other noncombustible absorbent materials.
Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Isolation and EvacuationExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Protective Action Criteria (PAC) · 3 件

0.026 [ppm]

0.28 [ppm]

7.4 [ppm]

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLCLo (rat) = 172 ppm/4h

安全データ

wgk
3
tsca
TSCA listed
rtecs
GV6600000
ridadr
UN 3382 6.1/PG 1
hs_code
29049090
risk_code
23/24/25-36/37/38

化学と産業

用途と製造

General Manufacturing InformationCyclohexane, nitro-: ACTIVE

応用分野

一般的な説明Colorless liquid.

サプライヤー45 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

補足説明

定義ChEBI: A C-nitro compound that is cyclohexane in which a single hydrogen is replaced by a nitro group.

関連反応

25 件

関連ノート

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