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(2-벤조티아졸릴티오)아세트산

2-(2-Benzothiazolylthio)acetic acid

HCID 80525
노트반응

데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다

기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
6295-57-4
표준 SMILES
O=C(O)CSc1nc2ccccc2s1
InChIKey
ZZUQWNYNSKJLPI-UHFFFAOYSA-N
분자식
C9H7NO2S2
평균 분자량
225.3 g/mol
단동위원소 질량
224.99182081

이름 및 식별자

우선 이름
2-(2-Benzothiazolylthio)acetic acid
IUPAC
2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
현지명
(2-벤조티아졸릴티오)아세트산
영어명
(2-Benzothiazolylthio)acetic acid
분자식
C9H7NO2S2
분자량
225.29

이름 및 동의어

6295-57-4Acetic acid, (2-benzothiazolylthio)-2-(Carboxymethylthio)benzothiazole2-(2-Benzothiazolylthio)acetic acid2-Carboxymethylthiobenzothiazole9H400WTE52NSC-11891Acetic acid, 2-(2-benzothiazolylthio)-DTXSID5064209NSC-4443RefChem:453343DTXCID1043596
이름 더 보기
(2-벤조티아졸릴티오)아세트산AKOS BB-8673AKOS BBS-00002482BUTTPARK 122\02-97(2-BENZOTHIAZOLYLTHIOTAVA-BB BB01140900452-benzthiazole thioacetic acid(2-benzothiazolylthio)-aceticaci
228-565-0(2-Benzothiazolylthio)acetic Acid2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid2-(benzo[d]thiazol-2-ylthio)acetic acid(Benzothiazol-2-ylsulfanyl)-acetic acid(1,3-benzothiazol-2-ylthio)acetic acid(2-BENZOTHIAZOLYTHIO)acetic acidMFCD00227391

데이터베이스 식별자

CAS
6295-57-4
PubChem CID
80525
DTXSID
DTXSID5064209
ChEMBL
CHEMBL1373993
UNII
9H400WTE52
EC Number
228-565-0
Nikkaji
J54.174E

물성

구조 계산 물성보충 중

XLogP
2.7
극성 표면적
104 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
3
무거운 원자 수
14
형식 전하
0
복잡도
225

실험 및 물리화학적 성질

Solubility>33.8 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionLiquid

물리화학적 성질

녹는점
159 °C · 159°C
끓는 점
423.4 · 423.4±47.0 °C(Predicted)
밀도
1.4374 · 1.4374 (rough estimate)
증기압
0.001 Pa · 0.001Pa at 20℃
굴절률
1.5364 · 1.5364 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
Insoluble in water
물리적 상태
powder to crystal
산도 계수 (pKa)
3.23 · 3.23±0.10(Predicted)
색상
흰색에서 밝은 노란색
수용성
133 mg/L · 133mg/L at 20℃
InChI
InChI=1S/C9H7NO2S2/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)
InChIKey
ZZUQWNYNSKJLPI-UHFFFAOYSA-N
SMILES

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

Danger

H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral];H318 (73.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (26.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H361fd (73.5%): Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity];H411 (25.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard];H412 (73.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P305+P354+P338, P317, P318, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 155 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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 · 4건

Chemical: Acetic acid, 2-(2-benzothiazolylthio)-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the use concentration of the chemical in coolant products exceeds 1%;;b. further information becomes available to the person as to reproduction/developmental toxicity effects of the chemical.;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

화학 및 산업

용도 및 제조

U.S. Production2023: 1,000,000 - <5,000,000 lb;2022: 1,000,000 - <5,000,000 lb;2021: 1,000,000 - <5,000,000 lb;2020: 50,000 - <250,000 lb
Consumer UsesAnti-freeze agent
Industry UsesIntermediate
General Manufacturing Information · 2건

Other (requires additional information)

Acetic acid, 2-(2-benzothiazolylthio)-: ACTIVE

상·하류 제품 정보

상류 원료

2-메르캅토벤조티아졸브로모아세트산

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]

관련 반응

32건
반응 기록 만들기
HRID 122174 반응식
HRID 122174반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 287871 반응식
HRID 287871반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 672106 반응식
HRID 672106반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 953426 반응식
HRID 953426반응물로Validation data from https://doi.org/10.1039/C8SC04228D
HRID 1218269 반응식
HRID 1218269반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1222058 반응식
HRID 1222058반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1231710 반응식
HRID 1231710반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1370681 반응식
HRID 1370681반응물로uspto-grants-2003_06
1 / 4 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
C(O)(=O)CSC1=NC2=CC=CC=C2S1
LogP
1.6 at · 1.6 at 20℃
EPA
Acetic acid, (2-benzothiazolylthio)- (6295-57-4)

Acetic acid, 2-(2-benzothiazolylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-(2-benzothiazolylthio)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 27-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23238

Acetic acid, 2-(2-benzothiazolylthio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (99.4%);Eye Dam. 1 (73.5%);Eye Irrit. 2 (26.5%);Repr. 2 (73.5%);Aquatic Chronic 2 (25.8%);Aquatic Chronic 3 (73.5%)

규제 정보

Regulatory Information · 4건

Chemical: Acetic acid, 2-(2-benzothiazolylthio)-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the use concentration of the chemical in coolant products exceeds 1%;;b. further information becomes available to the person as to reproduction/developmental toxicity effects of the chemical.;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

Acetic acid, 2-(2-benzothiazolylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-(2-benzothiazolylthio)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 27-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23238

Acetic acid, 2-(2-benzothiazolylthio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

안전 데이터

tsca
TSCA listed
HS 번호
2934208090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37/39
위험 등급
IRRITANT
기존화학 물질
2015-3-6291
苏州启航生物科技有限公司
18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Junwee Chemical co., Ltd.+86-571-85808636 +86-13958122542 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
泰州先和医药生物科技有限公司15995665146 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
新乡市翌诚生物科技有限公司0373-5799336 18937330588 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Shijiazhuang Jianxin Biotechnology Co., LTD+undefined-86-1906231316-9 +86-19062313169 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
南兴化工(江苏)有限公司0512-66387035 18662433356 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]