기본 정보
- 표준 SMILES
O=S(=O)([O-])c1ccccc1.[Na+]- InChIKey
MZSDGDXXBZSFTG-UHFFFAOYSA-M- 분자식
- C6H5NaO3S
- 평균 분자량
- 180.16 g/mol
- 단동위원소 질량
- 179.9857093
개요
See also: Benzenesulfonic acid, alkyl derivs., sodium salts (annotation moved to); Sodium N-alkylbenzenesulfonate (annotation moved to).
이름 및 식별자
- 우선 이름
- Sodium benzenesulfonate
- IUPAC
- sodium benzenesulfonate
- 영어명
- Benzenesulfonic acid sodium salt
- 분자식
- C6H7NaO3S
- 분자량
- 182.17
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
515-42-4- PubChem CID
- 517327
- DTXSID
DTXSID4060157- UNII
- K5RM14AZHX
- EC Number
- 208-198-2
- Nikkaji
- J6.295B
물성
구조 계산 물성
- 극성 표면적
- 65.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 188
실험 및 물리화학적 성질
Color/Form
CRYSTALS
NEEDLES OR LEAFLETS FROM WATER
물리화학적 성질
- 녹는점
- 450 °C · 450 °C
- 밀도
- 1.124 g/mL · 1.124 g/mL at 25 °C (lit.)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 물에 용해
- 물리적 상태
- 결정성 분말
- 색상
- 흰색에서 황백색까지
- 수용성
- 녹는
- Merck
- 14 · 14,1070
- BRN
- 3918459 · 3918459
- 안정성
- 안정적인. 흡습성. 강한 산화제와 호환되지 않습니다.
- InChI
- InChI=1S/C6H6O3S.Na.H/c7-10(8,9)6-4-2-1-3-5-6;;/h1-5H,(H,7,8,9);;
- InChIKey
- MZSDGDXXBZSFTG-UHFFFAOYSA-M
- SMILES
- S(C1C=CC=CC=1)(O)(=O)=O.[NaH]
- EPA
- Benzenesulfonic acid, sodium salt (515-42-4)
화학적 성질
off-white crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 96 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzenesulfonic acid, sodium salt
Status: Active Update: 05-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16461
Benzenesulfonic acid, sodium salt: Does not have an individual approval but may be used under an appropriate group standard
독성 정보
Non-Human Toxicity Excerpts
ACUTE EXPOSURE PRODUCED ONLY SLIGHT IRRITATION TO GUINEA PIG SKIN. /FROM TABLE/
NA ALKYLBENZENESULFONATE ADMIN IN DRINKING WATER (0.07, 0.2 & 0.6%) OR IN FEED (0.6 & 1.8%) TO MICE & RATS FOR 9 MO DECR LIVER WT, HEPATIC LEVELS OF GLUCOSE 6-PHOSPHATE DEHYDROGENASE, LACTATE DEHYDROGENASE & GLUTAMIC-PYRUVIC TRANSAMINASE.
SODIUM ALKYLBENZENESULFONATE ADMIN IN DRINKING WATER (0.07, 0.2 & 0.6%) OR IN FEED (0.6 & 1.8%) TO MICE & RATS FOR 9 MONTHS DECREASED KIDNEY LEVELS OF GLUCOSE 6-PHOSPHATASE & SODIUM, POTASSIUM ATPASE, INDICATING AN EFFECT ON KIDNEY FUNCTION.
SODIUM ALKYLBENZENESULFONATE ADMIN AT 1000 PPM IN WATER TO RATS FOR 6 WK ENHANCED THE INCREASE OF LIPIDS IN LIVER & DECREASED LEVELS OF CHOLESTEROL & PHOSPHOLIPIDS IN RED BLOOD CELLS.
For more Non-Human Toxicity Excerpts (Complete) data for SODIUM BENZOSULFONATE (9 total), please visit the HSDB record page.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DB7350000
- HS 번호
- 29049090
- risk_code
- 22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-24/25-22
- 기존화학 물질
- KE-02636
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 515-42-4(Hazardous Substances Data)
화학 및 산업
약리 정보
Absorption, Distribution and Excretion
ABSORBED SULFONATES ARE QUICKLY DISTRIBUTED THROUGH LIVING SYSTEMS, BUT ALSO READILY EXCRETED. ...SULFONATES WILL BIND TO PROTEINS & APPEAR TO TRANSLOCATE K+ /POTASSIUM IONS/ & NO3- /NITRATE IONS/ FROM CELLULAR TO INTERSTITIAL FLUID AS OCCURS...WITH SODIUM...BENZENESULFONATE.
EXCRETED AS SODIUM BENZENESULFONATE. /FROM TABLE/
용도 및 제조
Uses
Used as chemical intermediate, detergent, disinfectant, and anionic surfactant; [HSDB]
Using Disinfectants or Biocides [Category: Clean]
CHEM INT & DETERGENT
DISINFECTANT & ANIONIC SURFACTANT
General Manufacturing Information
Benzenesulfonic acid, sodium salt (1:1): ACTIVE
METHOD WAS DEVELOPED FOR REMOVING PHENOL & THIOPHENOL FROM WASTE GASES GIVEN OFF DURING MELTING OF SODIUM BENZENESULFONATE.
응용 분야
용도Sodium benzenesulfonate has been used in Raman spectroscopic determination of molecular structural features in sulfonated polystyrene resins. It was used as electrolyte in formation of polypyrrole coatings with varying surface morphology on stainless steel. It was used in the synthesis of 1-butyl-3-propanenitrile imidazolium benzenesulfonate.
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