4-(Dipropylsulfamoyl)benzoyl chloride

HCID 2735528CAS 29171-72-0

기본 정보

표준 SMILES: CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Cl)cc1
InChIKey: LCQXGFTXKWEWQC-UHFFFAOYSA-N
분자식: C13H18ClNO3S
평균 분자량: 303.81 g/mol
단동위원소 질량: 303.0695923

이름 및 식별자

우선 이름: 4-(Dipropylsulfamoyl)benzoyl chloride
IUPAC: 4-(dipropylsulfamoyl)benzoyl chloride
영어명: 4-[(Dipropylamino)sulfonyl]benzene-1-carbonyl chloride
분자식: C13H18ClNO3S
분자량: 303.8

이름 및 동의어

29171-72-04-(dipropylsulfamoyl)benzoyl ChlorideDTXSID80370773RefChem:288968DTXCID403218074-(N,N-Dipropylsulfamoyl)benzoyl chlorideBenzoyl chloride, 4-[(dipropylamino)sulfonyl]-4-[(Dipropylamino)Sulfonyl]Benzene-1-Carbonyl ChlorideMFCD00121817SCHEMBL10223344-(dipropylsulfamoyl)-benzoyl chloride4--(dipropylsulfamoyl)benzoyl chloride

이름 더 보기

4-(dipropylsulfamoyl)benzoylchlorideN,N-Dipropyl-4-sulfamidobenzoyl chlorideN,N-DIPROPYL-4-SULPHAMIDOBENZOYL CHLORIDE4-(DIPROPYLAMINOSULFONYL)BENZOYL CHLORIDE4-(DI-N-PROPYLAMINOSULFONYL)BENZOYL CHLORIDE4-(Di-n-propylsulfaMoyl)benzoyl chloride, 96%4-[(Dipropylamino)sulfonyl]benzene-1-carbonyl chloride, Tech.

4-(Di-n-propylsulfamoyl)benzoyl chloride4-(N,N-Dipropylsulfamoyl)benzoylchloride4-(di-n-propylsulfamoyl) benzoyl chloride

데이터베이스 식별자

CAS: 29171-72-0
PubChem CID: 2735528
DTXSID: DTXSID80370773
EC Number: 679-401-3

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 62.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 19
형식 전하: 0
복잡도: 377

물리화학적 성질

녹는점: 62 · 62-63
끓는 점: 411.3 · 411.3±47.0 °C(Predicted)
밀도: 1.227 · 1.227±0.06 g/cm3(Predicted)
산도 계수 (pKa): -5.62 · -5.62±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

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

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

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.