디메틸니트로벤젠

2,6-Dimethylnitrobenzene

HCID 6672

기본 정보

CAS
81-20-9
표준 SMILES
Cc1cccc(C)c1[N+](=O)[O-]
InChIKey
HDFQKJQEWGVKCQ-UHFFFAOYSA-N
분자식
C8H9NO2
평균 분자량
151.16 g/mol
단동위원소 질량
151.06332853

개요

1,3-dimethyl-2-nitrobenzene is a clear yellow liquid. (NTP, 1992)

이름 및 식별자

우선 이름
2,6-Dimethylnitrobenzene
IUPAC
1,3-dimethyl-2-nitrobenzene
현지명
디메틸니트로벤젠
영어명
2,6-Dimethyl-1-nitrobenzene
분자식
C8H9NO2
분자량
151.16

이름 및 동의어

1,3-Dimethyl-2-nitrobenzene2-Nitro-m-xylene81-20-92,6-Dimethylnitrobenzenem-Xylene, 2-nitro-2-Nitro-1,3-dimethylbenzeneDTXSID7025134NSC-98112-NITRO-1,3-XYLENEDTXCID2051346G9386D931RefChem:88698
이름 더 보기
2-나이트로-m-자일렌디메틸니트로벤젠2,6-Dimethy Nitrobenzenensc98111.3-DiMeth2-nitro-m-xylen2-Nitro-m-xylol2-Nitro-1,3-xylol
201-333-62,6-Dimethyl-1-nitrobenzeneBenzene, 1,3-dimethyl-2-nitro-1,3-dimethyl-2-nitro-benzeneMFCD00007181CAS-81-20-9CCRIS 3119NSC 9811

데이터베이스 식별자

CAS
81-20-9
PubChem CID
6672
DTXSID
DTXSID7025134
ChEMBL
CHEMBL1609131
UNII
6G9386D931
EC Number
201-333-6
Nikkaji
J54.461B

물성

구조 계산 물성

XLogP
3
극성 표면적
45.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
11

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density · 2건

1.112 at 59 °F (NTP, 1992) - Denser than water; will sink

1.112 @ 15°C

Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Flash Point190 °F (NTP, 1992)
Boiling Point · 2건

437 °F at 744 mmHg (NTP, 1992)

226 °C @760 [mm Hg]

Melting Point57 to 61 °F (NTP, 1992)

물리화학적 성질

녹는점
14 · 14-16 °C(lit.)
끓는 점
225 °C744 · 225 °C744 mm Hg(lit.)
밀도
1.112 g/mL · 1.112 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.521(lit.)
인화점
190 °F · 190 °F
저장 조건
30 °C · Store below +30°C.

화학적 성질

colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

This chemical does not meet GHS hazard criteria for 5.9% (3 of 51) of reports.

H411 (92.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory.

유해성 정보

DOT LabelPoison
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile1,3-DIMETHYL-2-NITROBENZENE is incompatible with strong oxidizers and strong bases.
Air and Water ReactionsInsoluble in water.

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

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 · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed 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.

Isolation and EvacuationExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
Protective Action Criteria (PAC) · 3건

5.1 [mg/m3]

56 [mg/m3]

330 [mg/m3]

Personal Protective Equipment (PPE) · 1건

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)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
ZE4686000
ridadr
UN 1665 6.1/PG 2
독성
LD50 ivn-mus: 45 mg/kg CSLNX* NX#00236
HS 번호
29042000

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1,3-dimethyl-2-nitro-: ACTIVE

응용 분야

용도2-Nitro-m-xylene is employed as a pharmaceutical intermediate in organic synthesis. It is also used in the preparation of Direct Violet 7 and solvent Red 26. Further, it is used in the petrochemical industry.

일반 설명Clear yellow liquid.

공급사28 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
武汉欣扬瑞和化学科技有限公司027-83855316 18171155316
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]

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