4-N-프로필벤잘데하이드

4-Propylbenzaldehyde

HCID 120047CAS 28785-06-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCc1ccc(C=O)cc1
InChIKey: MAUCRURSQMOFGV-UHFFFAOYSA-N
분자식: C10H12O
평균 분자량: 148.2 g/mol
단동위원소 질량: 148.088815

이름 및 식별자

우선 이름: 4-Propylbenzaldehyde
IUPAC: 4-propylbenzaldehyde
현지명: 4-N-프로필벤잘데하이드
영어명: 4-n-Propylbenzaldehyde
분자식: C10H12O
분자량: 148.2

이름 및 동의어

4-Propylbenzaldehyde28785-06-0Benzaldehyde, 4-propyl-p-Propylbenzaldehyde4-PropylbenzaldehydBenzaldehyde, p-propyl-BRN 2206736EINECS 249-221-6AFA5SA2NA54-(N-PROPYL)BENZALDEHYDE(4-PROPYLPHENYL)METHANONEDTXSID6067412

이름 더 보기

4-N-프로필벤잘데하이드p-propyl-benzaldehyd4-Propylbenzaldehyde,98%1-Formyl-4-propylbenzene2-(propylamino)propanenitrile

2-07-00-00246 (Beilstein Handbook Reference)RefChem:526580DTXCID9037870249-221-64-n-PropylbenzaldehydeMFCD000418704-PropYl-Benzaldehyde4-Propyl-benzaldehyd

데이터베이스 식별자

CAS: 28785-06-0
PubChem CID: 120047
DTXSID: DTXSID6067412
UNII: AFA5SA2NA5
EC Number: 249-221-6
Nikkaji: J54.847B

물성

구조 계산 물성

XLogP: 3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 112

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionLiquid

물리화학적 성질

녹는점: 19 °C · 19 °C
끓는 점: 240 ℃ · 240℃
밀도: 1.005 g/mL · 1.0050 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.532(lit.)
인화점: 219 °F · 219 °F
저장 조건: 2 · 2-8°C
용해도: 아세톤 (약간 용해됨), DMSO (난용성), 메탄올 (약간 용해됨)
물리적 상태: 기름
색상: 무색
냄새: Faint aromatic odor
InChI: 1S/C10H12O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-8H,2-3H2,1H3
InChIKey: MAUCRURSQMOFGV-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(CCC)cc1
LogP: 2.918 · 2.918 (est)
EPA: 4 · Benzaldehyde, 4-propyl- (28785-06-0)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Regulation (EC) No 1935/2004 (amended)

Benzaldehyde, 4-propyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzaldehyde, 4-propyl- 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)

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: CU7800000
독성: rat,LD50,oral,1600mg/kg (1600mg/kg),Journal of Pharmaceutical Sciences. Vol. 63, Pg. 1068, 1974.
HS 번호: 2912290090
risk_code: 22
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 8,500,000 - <25,000,000 lb

Consumer UsesIntermediate

Industry UsesIntermediate

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

Benzaldehyde, 4-propyl-: ACTIVE

응용 분야

용도4-n-Propylbenzaldehyde (cas# 28785-06-0) is a useful reagent for Lewis acid promoted, synthesis of fluoroquinolone clubbed 1,3,4-thiadiazole motifs.