기본 정보
- 표준 SMILES
CCOc1ccc(N)cc1- InChIKey
IMPPGHMHELILKG-UHFFFAOYSA-N- 분자식
- C8H11NO
- 평균 분자량
- 137.18 g/mol
- 단동위원소 질량
- 137.08406397
개요
P-phenetidine is a colorless to dark red liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 4-Ethoxyaniline
- IUPAC
- 4-ethoxyaniline
- 현지명
- p-펜네티딘
- 영어명
- Phenetidine
- 분자식
- C8H11NO
- 분자량
- 137.18
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
156-43-4- PubChem CID
- 9076
- DTXSID
DTXSID0025864- ChEMBL
CHEMBL250969- ChEBI
CHEBI:85505- UNII
- 9TSL224ZSE
- EC Number
- 205-855-5
- Nikkaji
- J2.032J
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 35.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 87.3
실험 및 물리화학적 성질
LogP
1.24
1.24
Density
1.0652 at 61 °F (NTP, 1992) - Denser than water; will sink
1.1 g/cm³
Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.0
Solubility
5 to 10 mg/mL at 68 °F (NTP, 1992)
Solubility in water, g/100ml at 20 °C: 2 (moderate)
Flash Point
240 °F (NTP, 1992)
120 °C c.c.
Boiling Point
482 °F at 760 mmHg (NTP, 1992)
253-255 °C
Melting Point
36 to 39 °F (NTP, 1992)
2.4 °C
Vapor Density
4.73 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Relative vapor density (air = 1): 4.7
Vapor Pressure
3.48 mmHg at 77 °F (NTP, 1992)
0.01 [mmHg]
Vapor pressure, Pa at 50 °C: 10
Physical Description
P-phenetidine is a colorless to dark red liquid. (NTP, 1992)
CBI
Colorless liquid; Turns red to brown on air and light exposure; [Merck Index] Brown liquid with an unpleasant odor; [Alfa Aesar MSDS]
COLOURLESS LIQUID. TURNS DARK RED ON EXPOSURE TO AIR AND LIGHT.
물리화학적 성질
- 녹는점
- 2 · 2-5 °C(lit.)
- 끓는 점
- 250 °C · 250 °C(lit.)
- 밀도
- 1.065 g/mL · 1.065 g/mL at 25 °C(lit.)
- 증기압
- 2.93 Pa · 2.93Pa at 25℃
- 굴절률
- 20 · n20/D 1.559(lit.)
- 인화점
- 240 °F · 240 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 20 g/L · 20g/L
- 산도 계수 (pKa)
- 5.2 · 5.2(at 28℃)
- 물리적 상태
- 액체
- 색상
- 맑은 노란색
- 수소이온지수(pH)
- 8 · 8 (1g/l, H2O, 20℃)
- 수용성
- 실질적으로 불용성
- Merck
- 14 · 14,7228
- BRN
- 606666 · 606666
- Dielectric constant
- 7.3 · 7.3(21℃)
- 안정성
- 안정적이지만 가볍고 공기에 민감합니다. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
- 화장품 원료 기능
- 머리 염색
- InChI
- 1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3
- InChIKey
- IMPPGHMHELILKG-UHFFFAOYSA-N
- SMILES
- CCOc1ccc(N)cc1
- NIST
- 4 · 4-Ethoxyaniline(156-43-4)
- EPA
- p-Phenetidine (156-43-4)
화학적 성질
colourless liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Benzenamine, 4-ethoxy-
Benzenamine, 4-ethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 4-ethoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 08-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10853
Phenetidine: Does not have an individual approval but may be used under an appropriate group standard
Fire Hazards
This compound is combustible. (NTP, 1992)
Combustible.
Hazards Summary
An eye irritant; May induce methemoglobinemia; [ICSC] Causes methemoglobinemia in repeated-dose oral studies of rats; [RTECS] Toxic by ingestion, inhalation, and skin absorption; May cause contact irritation, cyanosis, hypothermia, headache, drowsiness, vomiting, nephritis, and alimentary tract irritation; [NTP] Case report of methemoglobinemia from occupational exposure; Sensitizing in 2 of 3 maximization tests of guinea pigs; Not a lung sensitizer in guinea pigs; Some evidence of skin sensitization in humans; [IUCLID] A strong eye irritant; May cause skin sensitization; Harmful by ingestion, inhalation, and skin absorption; Suspected mutagen; [Alfa Aesar MSDS] See m-Phenetidine. See p-Anisidine.
안전 및 보호
Fire Fighting
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Use powder, alcohol-resistant foam, water spray, carbon dioxide.
First Aid Measures
Fresh air, rest.
Remove contaminated clothes. Rinse and then wash skin with water and soap.
Rinse with plenty of water (remove contact lenses if easily possible).
Rinse mouth. Seek medical attention if you feel unwell.
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 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.
Spillage Disposal
Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
독성 정보
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- SI6465500
- ridadr
- UN 2311 (PHENETIDINES)
- 독성
- LD50 orl-rat: 580 mg/kg GISAAA 35(8),28,70
- HS 번호
- 29222200
- risk_code
- 23/24/25-33-68-43-36-20/21/22
- hazard_code
- T,Xi,Xn
- safety_code
- 28-36/37-45-46
- 포장분류
- III
- 위험 등급
- 6.1
- 기존화학 물질
- KE-13338
- F 고인화성물질
- 8-10
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Muta. 2Skin Sens. 1
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
용도 및 제조
General Manufacturing Information
Explosives Manufacturing
Benzenamine, 4-ethoxy-: ACTIVE
응용 분야
용도A toxic metabolite of Phenacetin (P294580) which exhibits high renal toxicity. p-Phenetidine also reduced COX-1 and COX-2 expression in neutrophils.
일반 설명Colorless to dark red liquid.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: An aromatic ether that is aniline in which the hydrogen at position 4 is replaced by an ethoxy group. It is a hydrolysis metabolite of phenacetin.
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