기본 정보
- CAS
603-83-8- 표준 SMILES
Cc1c(N)cccc1[N+](=O)[O-]- InChIKey
HFCFJYRLBAANKN-UHFFFAOYSA-N- 분자식
- C7H8N2O2
- 평균 분자량
- 152.15 g/mol
- 단동위원소 질량
- 152.0585775
개요
2-methyl-3-nitroaniline appears as yellow rhombic needles (from water) or bright yellow powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2-Methyl-3-nitroaniline
- IUPAC
- 2-methyl-3-nitroaniline
- 영어명
- 2-Methyl-3-nitroaniline
- 분자식
- C7H8N2O2
- 분자량
- 152.15
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
603-83-8- PubChem CID
- 11783
- DTXSID
DTXSID8025628- ChEMBL
CHEMBL1882292- UNII
- D3JC433CEB
- EC Number
- 210-059-6
- Nikkaji
- J85.099C
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 71.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 155
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 88 · 88-90 °C (lit.)
- 끓는 점
- 305 °C · 305 °C (lit.)
- 밀도
- 1.378 · 1.378
- 굴절률
- 1.6394 · 1.6394 (estimate)
- 인화점
- 305 °C · 305°C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 1 mg/L · <1mg/L
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 2.31 · 2.31±0.10(Predicted)
- 색상
- 노란색에서 녹황색까지
- 수용성
- 23 · 23&C에서 <0.1g/100mL
- BRN
- 388393 · 388393
- InChI
- 1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3
- InChIKey
- HFCFJYRLBAANKN-UHFFFAOYSA-N
- SMILES
- Cc1c(N)cccc1[N+]([O-])=O
- NIST
- 2 · 2-Methyl-3-nitroaniline(603-83-8)
- EPA
- 2 · 2-Methyl-3-nitroaniline (603-83-8)
화학적 성질
YELLOW TO GREENISH-YELLOW CRYSTALLINE POWDER
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzenamine, 2-methyl-3-nitro-
2-Methyl-3-nitroaniline: Does not have an individual approval but may be used under an appropriate group standard
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
- 3
- rtecs
- XU8200000
- ridadr
- UN 2660 6.1/PG 3
- HS 번호
- 29214300
- risk_code
- 23/24/25-33-51/53
- hazard_code
- T,N
- safety_code
- 28-36/37-45-61-28A
- 포장분류
- III
- 위험 등급
- 6.1
- 위험 참고 사항
- Toxic
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 2STOT RE 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도2-Amino-6-nitrotoluene (2-Methyl-3-nitroaniline) has been used as a standard while evaluating the potential for degradation of nitroaromatic compounds by indigenous microorganisms.
일반 설명Yellow rhombic needles (from water) or bright yellow powder.
제조 방법
생산 방법6-Nitro-o-toluidine is produced by sulfide reduction of 2,6-dinitrotoluene in a process similar to that for 3-nitroaniline or by controlled hydrogenation of 2,6-dinitrotoluene with palladium on a carbon catalyst.
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