화학 백과사전 / Auxiliaries and Other Medicinal Chemical... / Pharmaceutical Intermediates / Pharmaceutical

하라종

CAS：80-13-7
MW:270.08
MF：C7H5Cl2NO4S

p-Dichlorosulfamoylbenzoic acid is a white, crystalline,photosensitive compound with a faint chlorine odor.Halazone is only slightly soluble in water at pH 7 but becomesvery soluble in alkaline solutions. The sodium salt ofhalazone is used to disinfect drinking water. 자세히 보기+

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이름 및 식별자
성질
MSDS 정보
NMR 스펙트럼
화학 데이터 계산

1. 이름 및 식별자

1.1 제품명: 하라종

1.2 동의어: 4-(DICHLOROSULFAMOYL)BENZOIC ACID; 4-(N,N-Dichlorosulfamoyl)benzoic acid; 4-[(Dichloroamino)sulfonyl]benzoic acid; 4-Carboxy-N,N-dichlorobenzenesulfonamide; 4-dichlorosulphamoylbenzoic acid; Benzoic acid, 4-[(dichloroamino)sulfonyl]-; Benzoic acid, p-(dichlorosulfamoyl)-; Halazon; HALAZONE; NSC 60717; p-(Dichlorosulfamoyl)benzoic acid; p-(N,N-Dichlorosulfamoyl)benzoic acid; p-(N,N-Dichlorosulfamyl)benzoic acid; Pantocid; Pantocide; Pantosid; PARA-SULPHONEDICHLORAMIDOBENZOICACID; Pentocid; p-Sulfondichloramidobenzoic acid; p-Sulfondichloraminobenzoic acid; Zeptabs;

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1.3 CAS No.: 80-13-7

1.4 CID: 3552

1.5 EINECS 번호: 201-253-1

1.6 분자식: C7H5Cl2NO4S

1.7 Inchi: InChI=1S/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)

1.8 InchiKey: XPDVQPODLRGWPL-UHFFFAOYSA-N

1.9 교회법에 의거 한 SMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)N(Cl)Cl

1.10 이성질체 SMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)N(Cl)Cl

2. 성질

2.1 pKa: 3.29±0.10(Predicted)

3. MSDS 정보

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

모두 보기

4. NMR 스펙트럼

13C NMR : in DMSO-d6

IR : KBr disc

Mass

5. 합성 선형

80-13-7Total: 5 합성 선형

473-34-7 20 공급자

80-13-7 37 공급자

138-41-0 102 공급자

80-13-7 37 공급자

모두 보기

6. 전구체 및 제품

업스트림 제품:

473-34-7

14380-61-1

138-41-0

7. 화학 데이터 계산

Molecular Weight：270.08g/mol
Molecular Formula：C₇H₅Cl₂NO₄S
Compound Is Canonicalized：True
XLogP3-AA：268.9316342
Monoisotopic Mass：268.9316342
Complexity：329
Rotatable Bond Count：2
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：83.1
Heavy Atom Count：：15
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBiOABGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgQAaAAADACA2AAwCYAAAgKIAiDSCHBCABAkAAAIiBkACMgIJjKAFRCAcQAkwAEImYeIyCCOEAAAAAAAAAAgAAAAAAAAAAAAAAAAAA==

8. Toltal 32 공급자 자세히 보기

Hangzhou Dingyan Chem Co.,Ltd

^1YR

Tel: Update Time:2024/11/15

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Henan Tianfu Chemical Co.,Ltd

^1YR

Tel: Update Time:2024/11/15

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Hangzhou ZeErRui Chemical Co., Ltd.

^1YR

Tel: Update Time:2024/03/12

inquire

TCI (Shanghai) Development Co., Ltd.

Tel: Update Time:2019/11/26

inquire

Benzoic acid,4-[(dichloroamino)sulfonyl]-

china haorun industry group co.,ltd

Tel: Update Time:2018/11/21

inquire