기본 정보
- 표준 SMILES
Nc1ccccc1S(=O)(=O)O- InChIKey
ZMCHBSMFKQYNKA-UHFFFAOYSA-N- 분자식
- C6H7NO3S
- 평균 분자량
- 173.19 g/mol
- 단동위원소 질량
- 173.01466426
이름 및 식별자
- 우선 이름
- 2-Aminobenzenesulfonic acid
- IUPAC
- 2-aminobenzenesulfonic acid
- 현지명
- 아닐린-2-설폰산
- 영어명
- Aniline-2-sulfonic acid
- 분자식
- C6H7NO3S
- 분자량
- 173.19
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
88-21-1- PubChem CID
- 6926
- DTXSID
DTXSID1024463- ChEMBL
CHEMBL1372690- ChEBI
CHEBI:1015- UNII
- ZB9JSA4BH0
- EC Number
- 201-810-9
- Nikkaji
- J4.290K
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 88.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 218
실험 및 물리화학적 성질
Physical Description
2-aminobenzene sulfonic acid is a light brown powder. (NTP, 1992)
Solid; [Merck Index] Light brown solid; [CAMEO]
Collision Cross Section
153.23 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field];133.9 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
130.5 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
152.3 Ų [M+Na]+;131.9 Ų [M-H]-
물리화학적 성질
- 녹는점
- 300 °C · 300 °C
- 끓는 점
- 363.26 ℃[at · 363.26℃[at 101 325 Pa]
- 밀도
- 1.342 · 1.342 (estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.55 · 1.5500 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 3.565 g/L · 3.565g/L in organic solvents at 20 ℃
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 2.48 · 2.48(at 25℃)
- 색상
- 흰색에서 베이지색
- 수용성
- 난용성
- Merck
- 14 · 14,6882
- BRN
- 1309204 · 1309204
- InChI
- 1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
- InChIKey
- ZMCHBSMFKQYNKA-UHFFFAOYSA-N
- SMILES
- Nc1ccccc1S(O)(=O)=O
- LogP
- 0 at · 0 at 23℃
- NIST
- Aniline-o-sulfonic acid(88-21-1)
- EPA
- o-Aminobenzenesulfonic acid (88-21-1)
화학적 성질
LIGHT BROWN FINE CRYSTALLINE POWDER
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (2 of 84) of reports.
Danger
H314 (78.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H319 (20.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 84 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 2 of 84 reports by companies.;There are 6 notifications provided by 82 of 84 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
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin and mucous membranes.;ACUTE/CHRONIC HAZARDS: This compound may evolve toxic fumes on contact with acids or when heated to decomposition. It may be corrosive to tissues. (NTP, 1992)
Hazards Summary
May cause skin and mucous membrane irritation; [NTP] Causes burns; May cause skin sensitization; [ECHA REACH Registrations] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS] See Aniline hemisulfate
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
독성 정보
규제 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DB4727700
- ridadr
- UN 2585 8/PG 3
- HS 번호
- 29214200
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45-28A
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- KE-01190
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
응용 분야
일반 설명Light brown powder.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: An aminobenzenesulfonic acid carrying an amino group at position 2.
관련 반응
연결된 노트
불러오는 중…