1,3-Benzodioxole-5-carbonyl chloride (HCID 2734749)

이름 및 식별자

우선 이름: 1,3-Benzodioxole-5-carbonyl chloride
IUPAC: 1,3-benzodioxole-5-carbonyl chloride
영어명: Piperonyloyl chloride
분자식: C8H5ClO3
분자량: 184.58

이름 및 동의어

1,3-benzodioxole-5-carbonyl chlorideRefChem:413844627-884-6Piperonyloyl chloride25054-53-92H-1,3-Benzodioxole-5-Carbonyl ChlorideBenzo[d][1,3]dioxole-5-carbonyl chlorideMFCD000169043,4-methylenedioxybenzoyl chloridepiperonyloylchloridepiperonoyl chloridePiperonylic chloride

이름 더 보기

BUTTPARK 154\04-36TIMTEC-BB SBB003720Piperonyloyl chloride 99%Piperonyloyl chloride,98%3,4-(METHYLENEDIOXY)BENZOYL CHLORIDE

1,3-benzodioxol-5-carbonyl chloridepiperonylic acid chloridePiperonyloyl chloride, 99%SCHEMBL1446093,4-methylenedioxybenzoylchlorideDTXSID303704803,4-methylenedioxy benzoyl chlorideSBB003720

데이터베이스 식별자

CAS: 25054-53-9
PubChem CID: 2734749
DTXSID: DTXSID30370480
EC Number: 627-884-6
Nikkaji: J267.230H

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 195

물리화학적 성질

녹는점: 78 · 78-79 °C (lit.)
끓는 점: 155 °C/25 · 155 °C/25 mmHg (lit.)
밀도: 1.3964 · 1.3964 (estimate)
저장 조건: Hygroscopic, Refrigerator, under inert atmosphere
용해도: 클로로포름(약간 용해됨)
물리적 상태: 결정성 분말
색상: 황백색에서 청회색까지
안정성: 수분 민감성, 공기 중의 수분과 반응
InChI: 1S/C8H5ClO3/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
InChIKey: ZRSGZIMDIHBXIN-UHFFFAOYSA-N
SMILES: ClC(=O)c1ccc2OCOc2c1

화학적 성질

off-white to blue-grey crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1C (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29329900
risk_code: 34
hazard_code: C
safety_code: 22-26-27-28-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도Piperonyloyl chloride is suitable for use in a kinetic study to evaluate the solvolysis rate constants of piperonyloyl chloride in 27 different solvents. It may be used in the synthesis of the following compounds:2-phenylbenzimidazoles(Z)-3-hydroxy-1-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3-phenylprop-2-en-1-onepongapinone A2-((1-(2-(N-(4-chlorophenyl)benzo[d][1,3]dioxole-5-carboxamido)ethyl)piperidin-4-yl)oxy)acetic acid phosphoric acid salt, inhibitor of platelet aggregationjusticidin B, the piscicidal components of Justicia Hayatai var. decumbenspiperazine derivatives

일반 설명Piperonyloyl chloride is an acyl halide. It participates in the preparation of starting reagent (N-acyl indole), required for the synthesis of pyrrolophenanthridone alkaloids. Kinetic study of the solvolysis of piperonyloyl chloride in various pure and binary solvent mixtures has been proposed. Solvolysis reaction has been reported to proceed via electron-rich acyl transfer mechanism.