디메틸니트로벤젠

4-나이트로-m-자일렌 · 디메틸니트로벤젠 · 2,4-DIMETHYLNITROBENZENE · 2,4-DIMETHYL-1-NITROBENZENE · 4-NITRO-M-XYLENE · Nitromxylene · m-Nitroxylene · 4-Nitro-m-xylol

https://huagongshe.com/ko/chemical/6991

식별자 및 물리적 특성

CAS No.	89-87-2
분자식	C8H9NO2
평균 분자량	151.16 g/mol
단동위원소 질량	151.06332853 g/mol
SMILES	Cc1ccc([N+](=O)[O-])c(C)c1
InChIKey	BBUPBICWUURTNP-UHFFFAOYSA-N
PubChem CID	6991
ChEMBL	CHEMBL3182934
EC No.	201-947-4
DTXSID	DTXSID2025135
현지명	디메틸니트로벤젠

화학 및 물리적 성질

XLogP	2.7
극성 표면적	45.8
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	11
형식 전하	0
복잡도	153
SpringerMaterials Properties	Boiling point
밀도	1.135 at 59 °F (NTP, 1992) - Denser than waterwill sink1.117 g/mL at 25 °C(lit.)
용해도	less than 1 mg/mL at 70 °F (NTP, 1992)
인화점	225 °F (NTP, 1992)
끓는 점	459 to 462 °F at 760 mmHg (NTP, 1992)244 °C(lit.)
녹는점	36 °F (NTP, 1992)7-9 °C(lit.)
증기압	1 mmHg at 150.1 °F760 mmHg at 471.2 °F (NTP, 1992)
Physical Description	1,3-dimethyl-4-nitrobenzene is a light yellow to amber liquid. (NTP, 1992)
굴절률	n20/D 1.549(lit.)
저장 조건	Store below +30°C.
물리적 상태	액체
색상	맑은 노란색
용해도	133mg/L(20℃)
BRN	1865656
헨리 상수	3.9×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
안정성	안정적인. 강염기, 강산화제와 호환되지 않습니다.
InChI	1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3
InChIKey	BBUPBICWUURTNP-UHFFFAOYSA-N
SMILES	Cc1ccc(c(C)c1)[N+]([O-])=O
NIST	Benzene, 2,4-dimethyl-1-nitro-(89-87-2)
EPA	4-Nitro-m-xylene (89-87-2)

화학적 성질

yellow to amber or deep yellow-green liquid

안전 및 규제

GHS 분류	WarningH302 (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.
규제 정보	Status: Cease Manufacture Update: 14-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/12516
운송 라벨(DOT)	Poison
화재 위험	This chemical is combustible. (NTP, 1992)
건강 유해성	SYMPTOMS: 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.
반응성 그룹	Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile	1,3-DIMETHYL-4-NITROBENZENE is incompatible with strong oxidizing agents and strong bases (NTP, 1992).
Air and Water Reactions	Insoluble in water.
Hazard Classes and Categories	Acute Tox. 4 (98.7%)
소화	Fires involving this material can be controlled with a dry chemical, carbon dioxide, or Halon extinguisher. A water spray may also be used. (NTP, 1992)
응급 처치	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.
비화재 누출 대응	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.

용도

일반 설명

Light yellow to amber liquid.