부틸아민(4-노르말)

4-Butylaniline

HCID 7694

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 104-13-2
표준 SMILES: CCCCc1ccc(N)cc1
InChIKey: OGIQUQKNJJTLSZ-UHFFFAOYSA-N
분자식: C10H15N
평균 분자량: 149.23 g/mol
단동위원소 질량: 149.12044948

이름 및 식별자

우선 이름: 4-Butylaniline
IUPAC: 4-butylaniline
현지명: 부틸아민(4-노르말)
영어명: 4-Butylaniline
분자식: C10H15N
분자량: 149.23

이름 및 동의어

4-Butylaniline4-n-ButylanilineBenzenamine, 4-butyl-Aniline, p-butyl-DTXSID8021856BRN 1447268p-Butyl anilineEINECS 203-177-44-ButylbenzeneamineDTXCID6018564-12-00-02807 (Beilstein Handbook Reference)RefChem:98249

이름 더 보기

4-뷰틸아닐린부틸아민(4-노르말)4-butyl-anilin4-N-ButyanilineButylaniline,98%Aniline, 4-butyl-AKOS BBS-00003555

203-177-4OGIQUQKNJJTLSZ-UHFFFAOYSA-N104-13-24-Butylbenzenaminep-Butylanilinep-n-Butylanilinep-Aminobutylbenzenep-Butylaminobenzene

데이터베이스 식별자

CAS: 104-13-2
PubChem CID: 7694
DTXSID: DTXSID8021856
ChEMBL: CHEMBL3181902
EC Number: 203-177-4
Nikkaji: J45.014F

물성

구조 계산 물성

XLogP: 3
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 93

실험 및 물리화학적 성질

Collision Cross Section149.8 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8021856]

물리화학적 성질

녹는점: -14 °C · -14°C
끓는 점: 133 · 133-134 °C14 mm Hg(lit.)
밀도: 0.945 g/mL · 0.945 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.535(lit.)
인화점: 215 °F · 215 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 액체
산도 계수 (pKa): 4.91 · 4.91±0.10(Predicted)
색상: 투명한 노란색에서 약간 갈색까지
BRN: 1447268 · 1447268
InChI: InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3
InChIKey: OGIQUQKNJJTLSZ-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(CCCC)C=C1
NIST: 4 · Benzenamine, 4-butyl-(104-13-2)
EPA: p-Butylaniline (104-13-2)

화학적 성질

Orange liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (85.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzenamine, 4-butyl-

Benzenamine, 4-butyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (85.1%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: BW9470000
ridadr: UN 2810 6.1/PG 3
독성: mouse,LD50,intraperitoneal,81mg/kg (81mg/kg),Journal of Medicinal Chemistry. Vol. 17, Pg. 900, 1974.
HS 번호: 29214980
risk_code: 23/24/25-36/37/38
hazard_code: T
safety_code: 23-26-36/37/39-45
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 4-butyl-: ACTIVE

응용 분야

용도4-Butylaniline is used in the fabrication of RP/ion-exchange, mixed-mode, monolithic materials for capillary LC.

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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