Benzoic acid, 4-(azidosulfonyl)-

HCID 86999

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 17202-49-2
표준 SMILES: [N-]=[N+]=NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIKey: OWULJVXJAZBQLL-UHFFFAOYSA-N
분자식: C7H5N3O4S
평균 분자량: 227.2 g/mol

이름 및 식별자

우선 이름: Benzoic acid, 4-(azidosulfonyl)-
IUPAC: 4-azidosulfonylbenzoic acid
영어명: 4-Carboxybenzenesulfonyl azide
분자식: C7H5N3O4S
분자량: 227.2

이름 및 동의어

17202-49-24-(Azidosulfonyl)benzoic acidBenzoic acid, 4-(azidosulfonyl)-DTXSID4066175RefChem:565912DTXCID3035505627-255-64-Carboxybenzenesulfonazide4-azidosulfonylbenzoic Acid4-Carboxybenzenesulfonyl azide4-Carboxybenzenesulfonylazide4-carboxyphenylsulfonyl azide

이름 더 보기

4-Sulfoanthracillicacid4-(azidosulfonyl)-benzoicaci4-Carboxybenzenesulfonazide 97%Benzoic acid,4-(azidosulfonyl)-4-Carboxybenzenesulfonyl azide,99%4-CARBOXYBENZENESULFONYL AZIDE 85-90%

p-carboxybenzene sulfonylazidep-carboxybenzenesulfonyl azideSCHEMBL968758p-carboxy benzene sulfonylazide4-carboxybenzene sulfonyl azideAKOS015889260AS-85950DB-008384

데이터베이스 식별자

CAS: 17202-49-2
PubChem CID: 86999
DTXSID: DTXSID4066175
EC Number: 627-255-6
Nikkaji: J307.699G

물성

구조 계산 물성

XLogP: 2
극성 표면적: 94.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 385

물리화학적 성질

녹는점: 180 °C · 180 °C (dec.)(lit.)
밀도: 1.6556 · 1.6556 (rough estimate)
굴절률: 1.632 · 1.6320 (estimate)
저장 조건: 2 · 2-8°C
InChI: 1S/C7H5N3O4S/c8-9-10-15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)
InChIKey: OWULJVXJAZBQLL-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(cc1)S(=O)(=O)N=[N+]=[N-]
EPA: 4 · Benzoic acid, 4-(azidosulfonyl)- (17202-49-2)

화학적 성질

OFF-WHITE TO BEIGE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/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 40 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 Irrit. 2 (97.5%)

안전 데이터

wgk: 3
tsca: TSCA listed
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 4-(azidosulfonyl)-: INACTIVE

응용 분야 · 1건

용도Reactant for: Synthesis of anti-inflammatory agents Azide amidation Reactions of thio acids with azides Chemoselective sodium borohydride reduction of azides in water Reagent for: Photo-Stevens rearrangement Cobalt-catalyzed synthesis of tertiary azides