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5,6-Dichloro-2-benzothiazolamine

HCID 32206
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1849-71-4
Standard SMILES
Nc1nc2cc(Cl)c(Cl)cc2s1
InChIKey
GHKHTBMTSUEBJD-UHFFFAOYSA-N
Molecular formula
C7H4Cl2N2S
Average molar mass
219.09 g/mol
Monoisotopic mass
217.94722449

Overview

5,6-dichloro-2-benzothiazolamine appears as white solid or powder. (NTP, 1992)

Names & identifiers

Preferred name
5,6-Dichloro-2-benzothiazolamine
IUPAC
5,6-dichloro-1,3-benzothiazol-2-amine
English name
5,6-Dichloro-2-benzothiazolamine
Molecular formula
C7H4Cl2N2S
Molecular weight
219.09

Names & synonyms

24072-75-12-Amino-5,6-dichlorobenzothiazole5,6-DICHLORO-2-BENZOTHIAZOLAMINE2-Benzothiazolamine, 5,6-dichloro-CCRIS 7425,6-Dichlorobenzothiazol-2-amineEINECS 246-006-9Z7P3YF9P8HBenzothiazole, 2-amino-5,6-dichloro-DTXSID50244775,6-dichloro-2-aminobenzothiazole5,6-dichloro-1,3-benzothiazol-2-ylamine
Show more names
5,6-dichloro-2-benzothiazolamin2-AMINODICHLOROBENZOTHIAZOLE,98%2-Benzothiazolamine,5,6-dichloro-(9CI)TIANFU CHEM--5,6-Dichloro-2-benzothiazolamine
DICHLORO-2-BENZOTHIAZOLAMINE, 5,6-RefChem:527994DTXCID104477631-598-75,6-Dichlorobenzo[d]thiazol-2-amine5,6-Dichloro-1,3-benzothiazol-2-amineMFCD00053558UNII-Z7P3YF9P8H

Database identifiers

CAS
1849-71-4、24072-75-1
PubChem CID
32206
DTXSID
DTXSID5024477

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
181

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 63 °F (NTP, 1992)
Melting Point347 to 356 °F (NTP, 1992)
Physical Description5,6-dichloro-2-benzothiazolamine appears as white solid or powder. (NTP, 1992)

Physicochemical properties

Melting point
175 · 175-180°C
Boiling point
379.7 · 379.7±45.0 °C(Predicted)
Density
1.654 · 1.654±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
pka
2.79 · 2.79±0.10(Predicted)
Appearance
Light yellow to yellow Solid
Water Solubility
0.1 g/100 · <0.1 g/100 mL at 17 ºC
CAS DataBase Reference
24072 · 24072-75-1(CAS DataBase Reference)
FDA UNII
7 P3YF9P8H · Z7P3YF9P8H

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 item

A halogenated aromatic amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)

Skin Irrit. 2 (100%)

Safety & protection

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Benzothiazolamine, 5,6-dichloro-: INACTIVE

Applications

Uses5,6-Dichloro-2-benzothiazolamine is used as an intermediate for disperse dyes and azo dyes.

General DescriptionWhite solid or powder.

Upstream & downstream products

Upstream raw materials

NSC2121532-AMINO-5,6-DICHLOROBENZOTHIAZOLE1-(3,4-DICHLOROPHENYL)-2-THIOUREA3,4-DichloroanilinePotassium thiocyanate

Downstream products

Disperse Red 153

Suppliers85 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]

Related reactions

2 records
New reaction record
HRID 86071 reaction equation
HRID 86071As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2083647 reaction equation
HRID 2083647As reactantuspto-grants-1978_04

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
UNII
Z7P3YF9P8H
EC Number
246-006-9、631-598-7
Nikkaji
J52.320H
EPA Substance Registry System
2 · 2-Amino-5,6-dichlorobenzothiazole (24072-75-1)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
317 · H317-H319
Precautionary statements
280 · P280-P305+P351+P338
Safety Statements
24 · 24/25
TSCA
TSCA listed
HS Code
29342000 · 29342000
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a 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.

Personal Protective Equipment (PPE) · 1 item

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)

Safety data

tsca
TSCA listed
hs_code
29342000
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
Hazard statements
H317-H319
Precautionary statements
P280-P305+P351+P338
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [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]
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广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
越林试剂021-62960152 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
盐城希曼生物科技有限公司0515-88280676; 18921872653 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
常州衍旭科技有限公司18106123700 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
湖北世腾化工科技有限公司19086915685 18971850150 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
山东小野化学股份有限公司0539-6362799 20)
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
湖北诺纳科技有限公司027-59209883 17386138556 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]