기본 정보
- 표준 SMILES
CCOc1cccc(N)c1- InChIKey
WEZAHYDFZNTGKE-UHFFFAOYSA-N- 분자식
- C8H11NO
- 평균 분자량
- 137.18 g/mol
- 단동위원소 질량
- 137.08406397
개요
M-phenetidine is a dark red liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 3-Ethoxyaniline
- IUPAC
- 3-ethoxyaniline
- 현지명
- 3-에톡시아닐린
- 영어명
- 3-Ethoxyaniline
- 분자식
- C8H11NO
- 분자량
- 137.18
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
621-33-0- PubChem CID
- 12120
- DTXSID
DTXSID0025862- ChEMBL
CHEMBL1466168- UNII
- XE9KKL972R
- EC Number
- 210-680-2
- Nikkaji
- J101.236C
물성
구조 계산 물성
- XLogP
- 1.3
- 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
- 95.3
실험 및 물리화학적 성질
Physical Description
M-phenetidine is a dark red liquid. (NTP, 1992)
Dark red liquid; [CAMEO] Clear light brown viscous liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 204 °C · 204 °C
- 끓는 점
- 248 °C · 248 °C(lit.)
- 밀도
- 1.032 g/mL · 1.032 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.566(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 에 용해됨클로로포름, 메탄올 (약간 용해됨)
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 4.18 · 4.18(at 25℃)
- 색상
- 클리어 브라운
- 수용성
- 20 °C에서 · 20°C에서 0.1-0.5g/100mL
- BRN
- 971028 · 971028
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제, 산, 산 염화물, 산 무수물과 호환되지 않습니다. 빛과 공기에 장기간 노출되는 경우 민감합니다.
- InChI
- 1S/C8H11NO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3
- InChIKey
- WEZAHYDFZNTGKE-UHFFFAOYSA-N
- SMILES
- CCOc1cccc(N)c1
- NIST
- 3 · 3-Ethoxyaniline(621-33-0)
- EPA
- m-Ethoxyaniline (621-33-0)
화학적 성질
light yellow to dark red liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 48.7% (37 of 76) of reports.
Danger
H301 (51.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Reactivity Profile
M-PHENETIDINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated 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, 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 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)
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SI5400000
- ridadr
- UN 2311 6.1/PG 3
- 독성
- mma-sat 1 mg/plate EMMUEG 11(Suppl12),1,88
- HS 번호
- 29222200
- risk_code
- 23/24/25-33
- hazard_code
- T
- safety_code
- 28-36/37/39-45-36/37-28A
- 포장분류
- III
- 위험 등급
- 6.1(b)
- F 고인화성물질
- 8-10-23
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
용도 및 제조
응용 분야
용도3-Ethoxyaniline was used as starting reagent in the synthesis of 1,2,3,4-tetrahydroacridinylhydrazides.
일반 설명Dark red liquid.
상·하류 제품 정보
상류 원료
공급사50 곳
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