기본 정보
- 표준 SMILES
CC(=O)Nc1ccc(N)cc1- InChIKey
CHMBIJAOCISYEW-UHFFFAOYSA-N- 분자식
- C8H10N2O
- 평균 분자량
- 150.18 g/mol
- 단동위원소 질량
- 150.07931294
개요
P-aminoacetanilide appears as white or slightly reddish solid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 4-Aminoacetanilide
- IUPAC
- N-(4-aminophenyl)acetamide
- 현지명
- p-아미노아세트아닐리드
- 영어명
- 4'-Aminoacetanilide
- 분자식
- C8H10N2O
- 분자량
- 150.18
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
122-80-5- PubChem CID
- 31230
- DTXSID
DTXSID7024455- ChEMBL
CHEMBL1318876- ChEBI
CHEBI:229632- UNII
- IH5OX0I3Z9
- EC Number
- 204-576-6
- Nikkaji
- J43.352G
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 55.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 139
실험 및 물리화학적 성질
Physical Description
P-aminoacetanilide appears as white or slightly reddish solid. (NTP, 1992)
White or slightly reddish solid; Darkened by air; [Merck Index] Brown solid; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- 164 · 164-167 °C(lit.)
- 끓는 점
- 267 °C · 267 °C
- 밀도
- 1.1392 · 1.1392 (rough estimate)
- 굴절률
- 1.618 · 1.6180 (estimate)
- 인화점
- 195 °C · 195°C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 65 g/l · 65g/l 약간 용해됨
- 물리적 상태
- 미세 결정성 분말
- 산도 계수 (pKa)
- 14.75 · 14.75±0.70(Predicted)
- 색상
- 핑크에서 브라운까지
- 수소이온지수(pH)
- 7.2 · 7.2 (1g/l, H2O, 20℃)
- 수용성
- 25 · 25&C에서 0.1-1g/100mL
- Merck
- 14 · 14,411
- BRN
- 742888 · 742888
- InChI
- 1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
- InChIKey
- CHMBIJAOCISYEW-UHFFFAOYSA-N
- SMILES
- CC(=O)Nc1ccc(N)cc1
- NIST
- Acetamide, N-(4-aminophenyl)-(122-80-5)
- EPA
- 4 · 4'-Aminoacetanilide (122-80-5)
화학적 성질
PINK TO BROWN FINE CRYSTALLINE POWDER
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 4.5% (8 of 179) of reports.
Danger
H317 (88.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P333+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 179 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Acetamide, N-(4-aminophenyl)-
Acetamide, N-(4-aminophenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetamide, N-(4-aminophenyl)- 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: 22-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23567
Reactivity Profile
Aromatic amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
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 ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 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 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
- 1
- tsca
- TSCA listed
- rtecs
- AD8225000
- HS 번호
- 29242995
- risk_code
- 36-42/43-20/21/22-R36
- hazard_code
- Xn,Xi
- safety_code
- 22-26-36/37-39-36-S39-S26
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-01533
- F 고인화성물질
- 8-9-23
- Hazard Classifications
- Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도Intermediate in the manufacture of azo dyes, pharmaceuticals.
일반 설명White or slightly reddish solid.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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