Pseudosaccharin chloride

HCID 64783CAS 567-19-1

기본 정보

표준 SMILES: O=S1(=O)N=C(Cl)c2ccccc21
InChIKey: VBEJRJPHNPIURV-UHFFFAOYSA-N
분자식: C7H4ClNO2S
평균 분자량: 201.63 g/mol
단동위원소 질량: 200.96512705

이름 및 식별자

우선 이름: Pseudosaccharin chloride
IUPAC: 3-chloro-1,2-benzothiazole 1,1-dioxide
영어명: 3-Chloro-benzo[d]isothiazole 1,1-dioxide
분자식: C7H4ClNO2S
분자량: 201.63

이름 및 동의어

567-19-1Pseudosaccharin chloride3-Chloro-psi-saccharin3-Chloro-1,2-benzisothiazole 1,1-dioxide3-Chlorobenzo[d]isothiazole 1,1-dioxide1,2-Benzisothiazole, 3-chloro-, 1,1-dioxide3-chloro-1lambda6,2-benzothiazole-1,1-dione3-Chlorobenzo(d)isothiazole 1,1-dioxideUNII-1AYD6UVV3F1AYD6UVV3Fsaccharin chloride3-chlorobenzisothiazole 1,1-dioxide

이름 더 보기

3-Chlorobenzoisothiazole 1,1-Dioxide3-Chloro-1,2-benzothiazole-1,1-dione3-chloro-1,2-benzothiazole 1,1-dioxide3-CHLORO-BENZO[D]ISOTHIAZOLE 1,1-DIOXIDE3-chloro-1，2.benziso thiazole-1，1-dioxide7-chloro-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene 9,9-dio xide

NSC 49757NSC-49757PSEUDOSACCHARYL CHLORIDESACCHARIN PSEUDOCHLORIDE3-CHLORO-PSEUDO-SACCHARINDTXSID00205255.GAMMA.-SACCHARIN CHLORIDE3-CHLORO-1H-BENZO(D)ISOTHIAZOLE-1,1-DIONE

데이터베이스 식별자

CAS: 567-19-1
PubChem CID: 64783
DTXSID: DTXSID00205255
UNII: 1AYD6UVV3F
EC Number: 817-743-9

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 54.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 317

물리화학적 성질

녹는점: 145 · 145-147 °C
끓는 점: 377.1 · 377.1±25.0 °C(Predicted)
밀도: 1 · 1+-.0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): -7.4 · -7.40±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.