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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 153
실험 및 물리화학적 성질
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.
- 물리적 상태
- 액체
- 색상
- 맑은 노란색
- 수용성
- 133 mg/L · 133mg/L(20℃)
- BRN
- 1865656 · 1865656
- Henry's Law Constant
- 3.9 · 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
- 2 · Benzene, 2,4-dimethyl-1-nitro-(89-87-2)
- EPA
- 4 · 4-Nitro-m-xylene (89-87-2)
화학적 성질
yellow to amber or deep yellow-green liquid
안전 및 규제
GHS 분류
GHS Classification
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
안전 및 보호
First Aid
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
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.
Personal Protective Equipment (PPE)
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
- safety_code
- 36/37-45-36/37/39-26-13
- 포장분류
- II
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
화학 및 산업
용도 및 제조
응용 분야
일반 설명Light yellow to amber liquid.
상·하류 제품 정보
상류 원료
하류 제품
공급사16 곳
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