[ CAS No. 25629-58-7 ] {[proInfo.proName]}

Name: 25629-58-7|5-Chloroisothiazol-3-ol|98%
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Quality Control of [ 25629-58-7 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 25629-58-7 ]

CAS No. :	25629-58-7	MDL No. :	MFCD16658894
Formula :	C₃H₂ClNOS	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	XFIPRDRBFGJGIZ-UHFFFAOYSA-N
M.W :	135.57	Pubchem ID :	11018927
Synonyms :

Calculated chemistry of [ 25629-58-7 ] Expand+

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	29.15
TPSA :	61.36 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.76 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.52
Log Po/w (XLOGP3) :	1.92
Log Po/w (WLOGP) :	1.5
Log Po/w (MLOGP) :	0.07
Log Po/w (SILICOS-IT) :	2.54
Consensus Log Po/w :	1.51

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.42
Solubility :	0.517 mg/ml ; 0.00381 mol/l
Class :	Soluble
Log S (Ali) :	-2.83
Solubility :	0.2 mg/ml ; 0.00147 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.3
Solubility :	6.75 mg/ml ; 0.0498 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.62

Safety of [ 25629-58-7 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 25629-58-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 25629-58-7 ]
Downstream synthetic route of [ 25629-58-7 ]

[ 25629-58-7 ] Synthesis Path-Upstream 1~1

1
[ 1002-19-3 ]
[ 25629-58-7 ]
[ 1003-07-2 ]

Reference： [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1994, # 16, p. 2245 - 2252

[ 25629-58-7 ] Synthesis Path-Downstream 1~11

1
[ 1002-19-3 ]
[ 25629-58-7 ]
[ 1003-07-2 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1994,p. 2245 - 2252

3
[ 1002-19-3 ]
[ 25629-58-7 ]

Reference： [1]European Journal of Medicinal Chemistry,2004,vol. 39,p. 699 - 705

4
2-acryloyl-1,4-benzoquinone [ No CAS ]
[ 25629-58-7 ]
[ 155628-99-2 ]

Yield	Reaction Conditions	Operation in experiment
	In toluene;	Example 8 Preparation of 2-[3-(5-Chloro-4-isothiazolin-3-one-2 -yl)propionyl]-1,4-benzoquinone (Compound 10) A stirred solution of 2-acryloyl-1,4-benzoquinone (1.0 g, 0.007 mole) and <strong>[25629-58-7]5-chloro-3-hydroxyisothiazole</strong> (0.81 g, 0.006 mole) in 20 ml of toluene was heated at 80 C. for 4 hours. Upon cooling, the precipitate which formed during the reaction period was removed by filtration and recrystallized from ethyl acetate/acetone mixture. A gray/tan solid was obtained; 0.85 g; mp 181-183 C.; IR (KBR) 1635 cm-1 (broad);NMR (acetone-d6) delta7.35 (s,1H); 7.15 (d 1H); 6.85 (d 1H); 6.35 (s,1H); 4.2 (t,2H); 3.52 (t,2H).

Reference： [1]Patent: US5288693,1994,A

5
[ 78-94-4 ]
[ 25629-58-7 ]
[ 155628-90-3 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; diethyl ether; toluene;	Example 2 Preparation of 2-(3-Oxobutyl)-5-chloro-4-isothiazolin-3-one) (Compound 1) A solution of 0.5 g (0.0037 mole) of <strong>[25629-58-7]5-chloro-3-hydroxyisothiazole</strong> and methyl vinyl ketone (1.0 g, 0.014 mole) in 15 ml of toluene was heated at 80 C. for 24 hours. After cooling and removal of toluene and excess reagent by rotary evaporation, the residual oil was purified by column chromatography on silica gel, using diethyl ether/methanol (9/1) as eluant. Compound 1 was obtained as an oil; 0.65 g (85%); IR (neat) 1725,1650 cm-1; NMR (CDCl3) delta6.25 (s,1H); 4.0 (t,2H); 2.9 (t,2H); 2.2 (s,3H).

Reference： [1]Patent: US5288693,1994,A

6
[ 38053-91-7 ]
[ 25629-58-7 ]
[ 155628-90-3 ]

Yield	Reaction Conditions	Operation in experiment
	With hydroquinone; In methanol; diethyl ether; toluene;	Example 1 Preparation of 2-(3-Oxobutyl)-5-chloro-4-isothiazolin-3-one (Compound 1) A solution of <strong>[25629-58-7]5-chloro-3-hydroxyisothiazole</strong> (1.5 g, 0.011 mole), 2-trimethylsiloxy-1,3-butadiene (5.6 g, 0.04 mole) and 0.5 g of hydroquinone in 20 ml of toluene was heated at 80 C. for 96 hours. After cooling, the mixture was concentrated in vacuo. The residual oil was dissolved in diethyl ether and washed with saturated NaHCO3 solution and then with water. After drying (MgSO4) and concentrating the solution, the residual oil was purified by column chromatography on silica gel, using diethyl ether/methanol (9/1) as eluant. Compound 1 was obtained as an oil, 0.3 g; IR (neat) 1625,1650 cm-1; NMR (CDCl3) delta6.25 (s,1H); 4.0 (t, 2H); 2.9 (t,2H); 2.2 (s, 3H).

Reference： [1]Patent: US5288693,1994,A

7
[ 1423-60-5 ]
[ 25629-58-7 ]
[ 155629-00-8 ]

Yield	Reaction Conditions	Operation in experiment
	With toluene-4-sulfonic acid; In diethyl ether; hexane; toluene;	Example 9 Preparation of 2-(2-Oxo-3-buten-4-yl)-5-chloro-4-isothiazolin-3-one (Compound 11) A stirred solution of <strong>[25629-58-7]5-chloro-3-hydroxyisothiazole</strong> (1.5 g, 0.011 mole), 1-butyn-3-one (3.5 g, 0.05 mole) and p-toluenesulfonic acid (0.02 g) in 25 ml of toluene was heated at 80 C. for 24 hours. Upon cooling, the dark brown reaction mixture was concentrated and the residual oil was column chromatographed on silica gel, using diethyl ether/hexane as eluant. Compound 11 was obtained as a yellowish solid; 1.8 g; mp 137-139 C.; IR (KBr) 1675, 1620 cm-1; NMR (CDCl3) delta8.2 (d,1H,J=13.9 Hz); 6.35 (s,1H); 5.85 (d,1H,J=13.9 Hz); 2.35 (s,3H).

Reference： [1]Patent: US5288693,1994,A

8
[ 4083-64-1 ]
[ 25629-58-7 ]
5-chloro-2-(N-4-tolunenesulfonylcarbamoyl)3-isothiazolone [ No CAS ]
[ 121946-95-0 ]

Yield	Reaction Conditions	Operation in experiment
85.9%	In toluene;	EXAMPLE 1 Preparation of 5-chloro-2-(N-4-tolunenesulfonylcarbamoyl)3-isothiazolone (Compound 1) 4.3 parts (0.032 mol) of <strong>[25629-58-7]5-chloro-3-hydroxyisothiazole</strong> was dissolved in 50 parts of dry toluene and stirred at 25 C. To the resulting solution, 6.3 parts (0.032 mol) of p-toluenesulfonyl isocyanate dissolved in 20 parts of toluene was added. The pale yellow precipitate thus formed increased by continuously stirring. The pre-cipitate was collected by filtration. Thus, 9.14 parts (yield: 85.9%) of 5-chloro-2-(N-4-toluenesulfonylcarbamoyl)-3-isothiazolone (Compound 1) was obtained in the form of a pale yellow solid. m.p.: 125-128 C.

Reference： [1]Patent: US5045555,1991,A

9
[ 32324-19-9 ]
[ 25629-58-7 ]
5-chloro-2 (N-2-toluenesulfonylcarbamoyl)3-isothiazolone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
81.2%	In toluene;	EXAMPLE 2 Preparation of 5-chloro-2 (N-2-toluenesulfonylcarbamoyl)3-isothiazolone (Compound 2) 4.3 parts (0.032 mol) of <strong>[25629-58-7]5-chloro-3-hydroxyisothiazole</strong> was dissolved in 50 parts of dry toluene and stirred at 25 C. To the resulting solution, 6.3 parts (0.032 mol) of o-toluenesulfonyl isocyanate dissolved in 20 parts of toluene was added. Then, the procedure of Example 1 was repeated. Thus, 8.62 parts (yield: 81.2%) of 5-chloro-2-(N-2-toluenesulfonylcarbamoyl)-3-isothiazolone (Compound 2) was obtained in the form of a brown solid. m.p.: 82 to 84 C.

Reference： [1]Patent: US5045555,1991,A

10
[ 25629-58-7 ]
[ 1312788-49-0 ]

Yield	Reaction Conditions	Operation in experiment
	With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20℃; for 15.0h;cooling with ice;	<Step 5> Synthesis of <strong>[25629-58-7]5-chloro-isothiazol-3-ol</strong> 1-oxide To a suspension of <strong>[25629-58-7]5-chloro-isothiazol-3-ol</strong> (31.8 g) in dichloromethane (640 mL), m-chloroperbenzoic acid (content: 65%) (60.7 g) was added under ice-cooling and the resultant reaction mixture was stirred at room temperature for 15 hours. The reaction mixture was filtered and the filtrate was concentrated under reduced pressure. To the resultant residue, dichloromethane was added and the resulting precipitates were filtered out. The filtrate was concentrated under reduced pressure and the resultant residue was purified by silica gel chromatography (eluate; n-hexane:ethyl acetate=67:33 to 60:40) to obtain the subject compound (26.0 g) as a white solid.
26.0 g	With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20℃; for 15.0h;Cooling with ice;	To a suspension of <strong>[25629-58-7]5-chloroisothiazol-3-ol</strong> (31.8 g) in dichloromethane (640 mL), m-chloroperbenzoic acid (content: 65%) (60.7 g) was added under ice-cooling and the resultant reaction mixture was stirred at room temperature for 15 hours. The reaction mixture was filtered and the filtrate was concentrated under reduced pressure. To the resultant residue, dichloromethane was added and precipitates were filtered off. The filtrate was concentrated under reduced pressure and the resultant residue was purified by silica gel chromatography (eluate; n-hexane:ethyl acetate=67:33 to 60:40) to obtain the subject compound (26.0 g) as a white solid.
26.0 g	With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20℃;Cooling with ice;	<Step 4> Synthesis of <strong>[25629-58-7]5-chloro-isothiazol-3-ol</strong> 1-oxide To a suspension of <strong>[25629-58-7]5-chloro-isothiazol-3-ol</strong> (31.8 g) in dichloromethane (640 mL), m-chloroperbenzoic acid (content 65%) (60.7 g) was added under ice-cooling and the resultant reaction mixture was stirred at room temperature for 15 hours. The reaction mixture was filtered and then the filtrate was concentrated under reduced pressure. To the residue, dichloromethane was added and the precipitate was filtered off. The filtrate was concentrated under reduced pressure and the resultant residue was purified by silica gel chromatography (eluent; n-hexane:ethyl acetate=67:33 to 60:40) to give the title compound (26.0 g) as a white solid.

Reference： [1]Patent: US2012/157459,2012,A1 .Location in patent: Page/Page column 61
[2]Patent: US2012/277150,2012,A1 .Location in patent: Paragraph 0848; 00849
[3]Patent: US2013/203739,2013,A1 .Location in patent: Paragraph 1171

11
[ 107-30-2 ]
[ 25629-58-7 ]
5-chloro-3-(methoxymethoxy)isothiazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
52.92%	With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 0 - 20℃; for 16.0h;	j00451j To a solution of <strong>[25629-58-7]5-chloroisothiazol-3-ol</strong> (4.03 g, 29.73 mmol) and DBU (7.07 g, 46.44 mmol) in THF (80 mL) at 0C, a solution of chloro(methoxy)methane (5.74 g, 71.3 mmol) in THF (40 mL) was added dropwise. The mixture was warmed to rt and stirred for 16 h. EtOAc (300 mL) was added, and the solution was washed with water (100 mL). The organic layer was dried over Na2SO4, filtered, concentrated, and purified by chromatography on silica gel (petroleum ether/EtOAc = 100/1) to give 5-chloro-3-(methoxymethoxy)isothiazole (701.5 mg, 3.91 mmol, 52.92% yield) as yellow oil. ?H NIVIR (400 MHz, CDC13): 6.59 (s, 1 H), 5.43 (s, 2 H), 3.52 (s, 3 H); MS: 180.1 [M+H].
	With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 10 - 20℃;	<Step 1> Synthesis of 5-chloro-3-(methoxymethoxy)isothiazole To a solution of <strong>[25629-58-7]5-chloro-isothiazol-3-ol</strong> (5.00 g) in tetrahydrofuran (50 mL), 1,8-diazabicyclo[5.4.0]undeca-7-ene (8.42 g) was added, and to the resultant reaction mixture, a solution of chloromethyl methyl ether (4.45 g) in tetrahydrofuran (25 mL) was dropped under ice-cooling at an inside temperature of 10 C. or less. After the completion of dropping, the inside temperature was elevated to room temperature and the reaction mixture was stirred for 10 minutes. To the reaction mixture, water was added and the resultant reaction mixture was extracted with ethyl acetate. The organic phase was washed with saturated saline and was dried over anhydrous sodium sulfate. From the organic phase, the solvent was distilled off under reduced pressure to obtain the subject compound (6.15 g) as a brown oil.

Reference： [1]Patent: WO2017/49173,2017,A1 .Location in patent: Paragraph 00451
[2]Patent: US2012/157459,2012,A1 .Location in patent: Page/Page column 59-60

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Isomers

Technical Information

• Acid-Catalyzed α -Halogenation of Ketones • Add Hydrogen Cyanide to Aldehydes and Ketones to Produce Alcohols • Addition of a Hydrogen Halide to an Internal Alkyne • Alcohol Syntheses from Aldehydes, Ketones and Organometallics • Alcohols are Weakly Basic • Alcohols as Acids • Alcohols Convert Acyl Chlorides into Esters • Alcohols from Haloalkanes by Acetate Substitution-Hydrolysis • Alcohols React with PX3 • Alcoholysis of Anhydrides • Aldehydes and Ketones Form Hemiacetals Reversibly • Aldol Addition • Alkene Hydration • Alkene Hydration • Alkyl Halide Occurrence • Alkylation of an Alkynyl Anion • An Alkane are Prepared from an Haloalkane • Appel Reaction • Base-Catalyzed Hydration of α,β -Unsaturated Aldehydes and Ketones • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Carboxylic Acids React with Alcohols to Form Esters • Chloroalkane Synthesis with SOCI2 • Chromium Reagents for Alcohol Oxidation • Chugaev Reaction • Claisen Condensations Produce β-Dicarbonyl Compounds • Claisen Condensations Produce β-Dicarbonyl Compounds • Convert Esters into Aldehydes Using a Milder Reducing Agent • Convert Haloalkanes into Alcohols by SN2 • Corey-Kim Oxidation • Decarboxylation of 3-Ketoacids Yields Ketones • Decomposition of Lithium Aluminum Hydride by Protic Solvents • Dess-Martin Oxidation • Esters Are Reduced by LiAlH4 to Give Alcohols • Esters Hydrolyze to Carboxylic Acids and Alcohols • Ether Synthesis by Oxymercuration-Demercuration • Ethers Synthesis from Alcohols with Strong Acids • Friedel-Crafts Alkylation of Benzene with Haloalkanes • Friedel-Crafts Alkylations Using Alcohols • Geminal Diols and Acetals Can Be Hydrolyzed to Carbonyl Compounds • General Reactivity • Grignard Reaction • Grignard Reagents Transform Esters into Alcohols • Grignard Reagents Transform Esters into Alcohols • Haloalcohol Formation from an Alkene Through Electrophilic Addition • Halogen and Alcohols Add to Alkenes by Electrophilic Attack • Halogen and Alcohols Add to Alkenes by Electrophilic Attack • Halogenation of Alkenes • Hemiaminal Formation from Amines and Aldehydes or Ketones • Hemiaminal Formation from Amines and Aldehydes or Ketones • HIO4 Oxidatively Degrades Vicinal Diols to Give Carbonyl Derivatives • Hiyama Cross-Coupling Reaction • Hydration of the Carbonyl Group • Hydride Reductions • Hydride Reductions of Aldehydes and Ketones to Alcohols • Hydride Reductions of Aldehydes and Ketones to Alcohols • Hydroboration-Oxidation • Hydroboration-Oxidation • Hydrolysis of Haloalkanes • Jones Oxidation • Ketones Undergo Mixed Claisen Reactions to Form β-Dicarbonyl Compounds • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Martin's Sulfurane Dehydrating Reagent • Methylation of Ammonia • Mitsunobu Reaction • Moffatt Oxidation • Osmium Tetroxide Reacts with Alkenes to Give Vicinal Diols • Osmium TetroxideReacts with Alkenes to Give Vicinal Diols • Oxidation of Alcohols by DMSO • Oxymercuration-Demercuration • Preparation of Alcohols • Preparation of Alkenes by Dehydration of Alcohols • Preparation of Alkenes by Dehydration of Alcohols • Preparation of Alkoxides with Alkyllithium • Preparation of Amines • Primary Ether Cleavage with Strong Nucleophilic Acids • Reactions of Alcohols • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions with Organometallic Reagents • Reduction of an Ester to an Alcohol • Reduction of Carboxylic Acids by LiAlH4 • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Ring Opening of an Oxacyclopropane by Lithium Aluminum Hydride • Ritter Reaction • Sharpless Olefin Synthesis • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Swern Oxidation • Synthesis of Alcohols from Tertiary Ethers • Synthesis of an Alkyl Sulfonate • The Nucleophilic Opening of Oxacyclopropanes • Thiazolium Salt Catalysis in Aldehyde Coupling • Thiazolium Salts Catalyze Aldehyde Coupling • Thiazolium Salts Catalyze Aldehyde Coupling • Transesterification • Use 1,3-dithiane to Prepare of α-Hydroxyketones • Vicinal Anti Dihydroxylation of Alkenes • Williamson Ether Syntheses

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[ 25629-58-7 ]

Isothiazoles

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P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	Inquiry	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ item.pr_usastock ]}		{[ item.pr_chinastock ]}	{[ item.pr_remark ]}

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 25629-58-7 ] {[proInfo.proName]}

Quality Control of [ 25629-58-7 ]

Related Doc. of [ 25629-58-7 ]

Product Details of [ 25629-58-7 ]

Calculated chemistry of [ 25629-58-7 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 25629-58-7 ]

Application In Synthesis of [ 25629-58-7 ]

[ 25629-58-7 ] Synthesis Path-Upstream 1~1

[ 25629-58-7 ] Synthesis Path-Downstream 1~11

Technical Information

Related Parent Nucleus of [ 25629-58-7 ]

Isothiazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Parent Nucleus of
[ 25629-58-7 ]