2-Propylaniline (HCID 15759)

이름 및 식별자

우선 이름: 2-Propylaniline
IUPAC: 2-propylaniline
영어명: 2-Propylaniline
분자식: C9H13N
분자량: 135.21

이름 및 동의어

2-PropylanilineBenzenamine, 2-propyl-o-Propylaniline2-PROPYL-ANILINEANILINE, 2-PROPYL-2-Propylbenzenamineo-Aminopropylbenzene1-Amino-2-propylbenzeneAniline, o-propyl-EINECS 217-346-5UNII-KDP5MSE5C0BRN 0636589

이름 더 보기

2-N-PROPYLANILINE2-propyl-anilino-propyl-anilin2-Propylaniline>2-propylbenzenamine2-propyl-benzenamin

WKURVXXDGMYSDP-UHFFFAOYSA-DTXSID401712484-12-00-02580 (Beilstein Handbook Reference)oPropylaniline2nPropylanilineAniline, opropyl2PropylbenzenamineAniline, 2propyl

데이터베이스 식별자

CAS: 1821-39-2
PubChem CID: 15759
DTXSID: DTXSID40171248
UNII: KDP5MSE5C0
EC Number: 217-346-5
Nikkaji: J55.231C

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 90

실험 및 물리화학적 성질

Physical DescriptionYellow to brown liquid; [MSDSonline]

Kovats Retention Index · 2건

1299

1975

물리화학적 성질

녹는점: -6.87 °C · -6.87°C (estimate)
끓는 점: 222 · 222-224 °C (lit.)
밀도: 0.96 g/mL · 0.96 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.547(lit.)
인화점: 208 °F · 208 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 4.06 · 4.06±0.10(Predicted)
색상: 무색~연황색
InChI: 1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3
InChIKey: WKURVXXDGMYSDP-UHFFFAOYSA-N
SMILES: CCCc1ccccc1N
NIST: 2 · Benzenamine, 2-propyl-(1821-39-2)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazards SummaryHarmful by inhalation, skin absorption, and ingestion; [MSDSonline] See N-Ethylaniline.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

안전 데이터

wgk: 3
rtecs: BY8300000
HS 번호: 2921490090
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39-23
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

일반 설명Electropolymerization of 2-propylaniline in highly acidic medium yields poly(2-propylaniline) film. Polymerization and intercalation of 2-propylaniline into iron (III) oxychloride via in situ polymerization/intercalation process has been reported.