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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 143
실험 및 물리화학적 성질
Density
1.112 at 59 °F (NTP, 1992) - Denser than water; will sink
1.112 @ 15°C
Boiling Point
437 °F at 744 mmHg (NTP, 1992)
226 °C @760 [mm Hg]
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.
- 용해도
- 클로로포름, 메탄올(약간)에 용해됨
- 물리적 상태
- liquid
- 색상
- White or Colorless to Yellow
- 수용성
- 불용성
- BRN
- 2046066 · 2046066
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C8H9NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3
- InChIKey
- HDFQKJQEWGVKCQ-UHFFFAOYSA-N
- SMILES
- Cc1cccc(C)c1[N+]([O-])=O
- NIST
- 1 · Benzene, 1,3-dimethyl-2-nitro-(81-20-9)
- EPA
- 2 · 2-Nitro-m-xylene (81-20-9)
화학적 성질
colourless to light yellow liquid
안전 및 규제
GHS 분류
GHS Classification
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
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: 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.
Protective Action Criteria (PAC)
5.1 [mg/m3]
56 [mg/m3]
330 [mg/m3]
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
- rtecs
- ZE4686000
- ridadr
- UN 1665 6.1/PG 2
- 독성
- LD50 ivn-mus: 45 mg/kg CSLNX* NX#00236
- HS 번호
- 29042000
- risk_code
- 51/53-20/21-40-36/37/38-23/24/25-38-11
- hazard_code
- N,Xn,F,T,Xi
- safety_code
- 61-36/37-36-26-16-45-36/37/39-13-24-9
- 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
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.
상·하류 제품 정보
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