헥사하이드로니트로벤젠

Nitrocyclohexane

HCID 14285CAS 1122-60-7

기본 정보

표준 SMILES
O=[N+]([O-])C1CCCCC1
InChIKey
NJNQUTDUIPVROZ-UHFFFAOYSA-N
분자식
C6H11NO2
평균 분자량
129.16 g/mol
단동위원소 질량
129.07897859

개요

Nitrocyclohexane is a colorless liquid. (EPA, 1998)

이름 및 식별자

우선 이름
Nitrocyclohexane
IUPAC
nitrocyclohexane
현지명
헥사하이드로니트로벤젠
영어명
Nitrocyclohexane
분자식
C6H11NO2
분자량
129.16

이름 및 동의어

NITROCYCLOHEXANECyclohexane, nitro-1-nitrocyclohexaneCCRIS 7162HSDB 6414EINECS 214-354-0NSC 66277UNII-LL1X024M73BRN 0907243AI3-14828LL1X024M73NSC-66277
이름 더 보기
나이트로사이클로헥세인헥사하이드로니트로벤젠니트로싸이클로헥산NSC66277ai3-14828[qr]nitro-cyclohexanNitrocyclohexane>HEXAHYDRONITROBENZENE
DTXSID6061529CHEBI:741644-05-00-00081 (Beilstein Handbook Reference)Cyclohexane, nitroRefChem:166088DTXCID7033284214-354-0NJNQUTDUIPVROZ-UHFFFAOYSA-N

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.8
극성 표면적
45.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Nitros, Aliphatic

Flammable agents - 2nd degree

SpringerMaterials PropertiesChemical shift
Density · 3건

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 · 3건

401.9 °F at 768 mmHg (EPA, 1998)

205.5 °C at 768 mm Hg

205.5 °C @760 [mm Hg]

Melting Point · 3건

-29 °F (EPA, 1998)

Freezing point: -34 °C

-34 °C

물리화학적 성질

녹는점
34 °C · −34 °C(lit.)
끓는 점
205.5 · 205.5-206 °C768 mm Hg(lit.)
밀도
1.061 g/mL · 1.061 g/mL at 25 °C(lit.)
증기 밀도
4.46 · 4.46 (vs air)
증기압
768 mm · 768 mm Hg ( 205 °C)
굴절률
20 · n20/D 1.462(lit.)

화학적 성질

Nitrocyclohexane is a highly flammable, colorless liquid.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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 · 1건

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

안전 및 보호

Fire Fighting · 1건

(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 · 1건

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) · 3건

0.026 [ppm]

0.28 [ppm]

7.4 [ppm]

독성 정보

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

안전 데이터

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

화학 및 산업

용도 및 제조

General Manufacturing InformationCyclohexane, nitro-: ACTIVE

응용 분야

일반 설명Colorless liquid.

공급사45 곳

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]

추가 설명

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

관련 반응

25건

연결된 노트

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