CAS 4263-52-9 2-Bromoethanesulfonic acid, sodium salt (HCID 23666797)

기본 정보

CAS: 4263-52-9
표준 SMILES: O=S(=O)([O-])CCBr.[Na+]
InChIKey: HNFOAHXBHLWKNF-UHFFFAOYSA-M
분자식: C2H4BrNaO3S
평균 분자량: 211.01 g/mol
단동위원소 질량: 209.89622

이름 및 식별자

우선 이름: 2-Bromoethanesulfonic acid, sodium salt
IUPAC: sodium 2-bromoethanesulfonate
현지명: 소듐 2-브로모에탄술포네이트
영어명: Sodium 2-bromoethanesulphonate
분자식: C2H6BrNaO3S
분자량: 213.02

이름 및 동의어

2-Bromoethanesulfonic acid, sodium saltRefChem:5918054263-52-9Sodium 2-bromoethanesulfonate2-Bromoethanesulfonic acid sodium saltSodium 2-bromoethanesulphonatesodium;2-bromoethanesulfonateSodium bromoethylsulfonateMFCD00007530Ethanesulfonic acid, 2-bromo-, sodium salt2-bromoethanesulfonic acid sodiumsodium 2-bromoethane-1-sulfonate

이름 더 보기

2-브로모에탄설폰산,나트륨염소듐2-브로모에탄술포네이트2-브로모에탄설폰산,나트륨염(2-BROMOETHANESULFONICACID,SODIUMSALT)sodium 2-bromethanesulfonate2-Bromoethanesulfoni2-Bromoethanesulfonic2-BROMOETHANESULFONIC ACIDSodiumBromoEthaneSulphonateSodium 2-bromoethanesulfote2-broMo ethylsulfonate(SBES)Sodium 2-bromoethylsulfonate

NSC 447SCHEMBL59938AI3-52298DTXSID40633792-bromoethylsulfonate sodium saltAKOS015897341AS-11961sodium 2-bromoethane sulfonate

데이터베이스 식별자

CAS: 4263-52-9
PubChem CID: 23666797
DTXSID: DTXSID4063379
UNII: DHR88Y2PLB
EC Number: 224-244-4
Nikkaji: J205.674G

물성

구조 계산 물성

극성 표면적: 65.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 125

물리화학적 성질

녹는점: 283 °C · 283 °C (dec.) (lit.)
밀도: 2.233 · 2.233[at 20℃]
증기압: 0 Pa · 0Pa at 20℃
저장 조건: Inert atmosphere,Room Temperature
용해도: 100 mg/mL, · 물: 용해성100mg/mL, 투명, 무색
물리적 상태: 결정성 분말
색상: 흰색에서 황백색까지
수용성: 500 g/L · 500g/L(20℃)
BRN: 4590828 · 4590828
안정성: 흡습성
InChI: InChI=1S/C2H5BrO3S.Na.H/c3-1-2-7(4,5)6;;/h1-2H2,(H,4,5,6);;
InChIKey: HNFOAHXBHLWKNF-UHFFFAOYSA-M
SMILES: C(CBr)S(O)(=O)=O.[NaH]
LogP: -3.26 at · -3.26 at 20℃
EPA: 2 · Ethanesulfonic acid, 2-bromo-, sodium salt (4263-52-9)

화학적 성질

LIGHT BEIGE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 6% (3 of 50) of reports.

Warning

H315 (94%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (94%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (92%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 50 reports by companies.；There are 6 notifications provided by 47 of 50 reports by companies with hazard statement code(s).；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.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 09-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22143；Status: Active Update: 09-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25900

Ethanesulfonic acid, 2-bromo-, sodium salt: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (94%)；Eye Irrit. 2 (94%)；STOT SE 3 (92%)

규제 정보

Regulatory Information · 2건

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanesulfonic acid, 2-bromo-, sodium salt (1:1): ACTIVE

응용 분야

용도Sodium 2-bromoethanesulphonate is usually used to investigate the effect of BES on inhibition of bacterial growth.

일반 설명Sodium 2-bromoethanesulfonate acts as methanogenesis inhibitor during anaerobic digestion. It reacts with lithium sulfinated polysulfones(PSU) to yield sulfoethylated PSU.