기본 정보
- CAS
92-49-9- 표준 SMILES
CCN(CCCl)c1ccccc1- InChIKey
DBDNQNARCHWMSP-UHFFFAOYSA-N- 분자식
- C10H14ClN
- 평균 분자량
- 183.68 g/mol
- 단동위원소 질량
- 183.08147713
이름 및 식별자
- 우선 이름
- N-(2-Chloroethyl)-N-ethylaniline
- IUPAC
- N-(2-chloroethyl)-N-ethylaniline
- 현지명
- N-클로로에틸-N-에틸아닐린
- 영어명
- N-Chloroethyl-N-ethylaniline
- 분자식
- C10H14ClN
- 분자량
- 183.68
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
92-49-9- PubChem CID
- 7093
- DTXSID
DTXSID6052615- UNII
- YRZ30ATK2G
- EC Number
- 202-159-3
- Nikkaji
- J29.601E
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 110
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 46 °C · 46°C
- 끓는 점
- 302.39 °C · 302.39°C (rough estimate)
- 밀도
- 1.0821 · 1.0821 (rough estimate)
- 굴절률
- 1.61 · 1.6100 (estimate)
- 산도 계수 (pKa)
- 5.52 · 5.52±0.50(Predicted)
- InChI
- InChI=1S/C10H14ClN/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
- InChIKey
- DBDNQNARCHWMSP-UHFFFAOYSA-N
- SMILES
- C1(N(CCCl)CC)=CC=CC=C1
- EPA
- N-Ethyl-N-(2-chloroethyl)aniline (92-49-9)
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 및 보호
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
독성 정보
TSCA Test Submissions
N-(2-chloroethyl)-N-ethylaniline was evaluated for acute dermal toxicity in 4 groups of 4 New Zealand White rabbits (sex not indicated) administered 0.100, 0.215, 0.464, and 1.00 ml/kg bw doses of the test substance to the abdominal skin under occlusive conditions. The skin of 2 rabbits in each group was abraded prior to application of the test substance. Animals were observed for 14 days following treatment. The use of controls was not reported. Mortalities included one at both the 0.215 ml/kg and 0.464 ml/kg levels, and 4 at the 1.00 ml/kg level. The LD50 (and 95% confidence limits) were determined by the moving average method to be 464 ml/kg (0.270 - 0.799). Clinical signs included depression and nasal discharge at the 0.100 and 0.215 levels; hunched posture, emaciation, and half closed eyes at the 0.215 l ml/kg level. Additional signs observed at 0.464 ml/kg level included wheezing, diarrhea, excessive salivation, hyperactivity, and exceptionally blue eyes. The single high dose rabbit that survived long enough for observation displayed the additional signs of depressed righting and placement reflexes and labored respiration. Signs of dermal irritation were seen in all treatment groups. Gross necropsy of rabbits that died revealed congested lungs at all levels; congested kidneys at the two highest dose levels; and autolysis, pale livers and stomachs which fell apart when handled at the highest dose.
N-(2-chloroethyl)-N-ethylaniline ( CAS # 92-49-9) was evaluated for acute dermal toxicity in 4 male albino rabbits (strain not indicated) exposed to the test substance under occlusive conditions at a dose level of 200 mg/kg body weight for 24 hours. The skin of 2 rabbits was abraded prior to application of the test substance. The use of controls was not reported. All animals died within 24 hrs. No LD50 was determined and no clinical signs were reported. Gross necropsy revealed organs of the thorax and abdomen to be normal.
Non-Human Toxicity Excerpts
ETHYLPHENYL-2-CHLOROETHYLAMINE, A MONOFUNCTIONAL MUSTARD WAS TESTED IN VIVO AGAINST WALKER CARCINOMA 259 IN RATS AND FOUND TO BE INACTIVE.
Poison by intraperitoneal and skin contact routes. Moderately toxic by ingestion.
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-05669
- 유해 물질 데이터
- 92-49-9(Hazardous Substances Data)
화학 및 산업
약리 정보
용도 및 제조
Uses
A metabolite of alkoxyaniline mustards in microsomal suspensions; [HSDB]
N-ETHYL-N-(2-CHLOROETHYL)ANILINE IS A METABOLITE OF ALKOXYANILINE MUSTARDS IN MICROSOMAL SUSPENSIONS.
응용 분야
용도N-Chloroethyl-N-ethylaniline is used as an intermediate in the synthesis of dyes as an aniline organic compound.
상·하류 제품 정보
상류 원료
공급사33 곳
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