디메틸니트로벤젠

4-Nitro-m-xylene

HCID 6991CAS 89-87-2

기본 정보

표준 SMILES
Cc1ccc([N+](=O)[O-])c(C)c1
InChIKey
BBUPBICWUURTNP-UHFFFAOYSA-N
분자식
C8H9NO2
평균 분자량
151.16 g/mol
단동위원소 질량
151.06332853

개요

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

이름 및 식별자

우선 이름
4-Nitro-m-xylene
IUPAC
2,4-dimethyl-1-nitrobenzene
현지명
디메틸니트로벤젠
영어명
4-Nitro-1,3-dimethylbenzene
분자식
C8H9NO2
분자량
151.16

이름 및 동의어

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
이름 더 보기
4-나이트로-m-자일렌디메틸니트로벤젠Nitromxylenem-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.7
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 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)

물리화학적 성질

녹는점
7 · 7-9 °C(lit.)
끓는 점
244 °C · 244 °C(lit.)
밀도
1.117 g/mL · 1.117 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.549(lit.)
인화점
225 °F · 225 °F
저장 조건
30 °C · Store below +30°C.

화학적 성질

yellow to amber or deep yellow-green liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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).

안전 및 보호

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 · 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: 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) · 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
ridadr
UN 1665 6.1/PG 2
HS 번호
29042000
risk_code
22-20/21/22-36/37/38-23/24/25
hazard_code
Xn,T

화학 및 산업

용도 및 제조

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

응용 분야

일반 설명Light yellow to amber liquid.

공급사16 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
湖北中隆康盛精细化工有限公司027-027-83850368 18140587623 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]

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4건

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