기본 정보
- 표준 SMILES
CC(=O)Nc1cccc(N)c1- InChIKey
PEMGGJDINLGTON-UHFFFAOYSA-N- 분자식
- C8H10N2O
- 평균 분자량
- 150.18 g/mol
- 단동위원소 질량
- 150.07931294
개요
M-aminoacetanilide is a gray solid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- m-Aminoacetanilide
- IUPAC
- N-(3-aminophenyl)acetamide
- 현지명
- 3'-아미노아세트아닐리드
- 영어명
- N1-(3-Aminophenyl)acetamide
- 분자식
- C8H10N2O
- 분자량
- 150.18
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
102-28-3- PubChem CID
- 7604
- DTXSID
DTXSID2024454- ChEMBL
CHEMBL1606123- UNII
- Q5K7HYS7JJ
- EC Number
- 203-021-5
- Nikkaji
- J43.351I
물성
구조 계산 물성
- XLogP
- 0.9
- 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
- 147
실험 및 물리화학적 성질
Physical Description
M-aminoacetanilide is a gray solid. (NTP, 1992)
Gray solid; [CAMEO] Light brown crystalline powder; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- 86 · 86-88 °C(lit.)
- 끓는 점
- 271.72 °C · 271.72°C (rough estimate)
- 밀도
- 1.1392 · 1.1392 (rough estimate)
- 굴절률
- 1.618 · 1.6180 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 14.82 · 14.82±0.70(Predicted)
- 색상
- 흰색에서 회색, 갈색까지
- 수용성
- 24 · 24&C에서 1~5g/100mL
- InChI
- InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11)
- InChIKey
- PEMGGJDINLGTON-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=CC(N)=C1)(=O)C
- EPA
- 3 · 3'-Aminoacetanilide (102-28-3)
화학적 성질
light brown crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (21.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
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: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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
- tsca
- TSCA listed
- rtecs
- AD8050000
- 독성
- mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02899,
- HS 번호
- 29214200
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-01532
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도3'-Aminoacetanilide is mainly used as reaction intermediates dyes and disperse dyes.
일반 설명Gray solid.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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