[ CAS No. 108662-49-3 ] {[proInfo.proName]}

Name: 108662-49-3|2-Chloro-6-fluoro-1H-benzo[d]imidazole|96%
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Quality Control of [ 108662-49-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 108662-49-3 ]

Product Details of [ 108662-49-3 ]

CAS No. :	108662-49-3	MDL No. :	MFCD08457967
Formula :	C₇H₄ClFN₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UZIXQYXXJBMILL-UHFFFAOYSA-N
M.W :	170.57	Pubchem ID :	11615253
Synonyms :

Calculated chemistry of [ 108662-49-3 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	41.06
TPSA :	28.68 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.45 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.4
Log Po/w (XLOGP3) :	2.66
Log Po/w (WLOGP) :	2.78
Log Po/w (MLOGP) :	2.01
Log Po/w (SILICOS-IT) :	3.09
Consensus Log Po/w :	2.39

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.18
Solubility :	0.113 mg/ml ; 0.000663 mol/l
Class :	Soluble
Log S (Ali) :	-2.91
Solubility :	0.208 mg/ml ; 0.00122 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.8
Solubility :	0.027 mg/ml ; 0.000158 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.77

Safety of [ 108662-49-3 ]

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

Application In Synthesis of [ 108662-49-3 ]

* 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.

Downstream synthetic route of [ 108662-49-3 ]

[ 108662-49-3 ] Synthesis Path-Downstream 1~16

2
[ 108662-49-3 ]
[ 87394-63-6 ]
[ 900184-38-5 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydrogencarbonate In i-Amyl alcohol at 150℃; for 0.166667h; Microwave irradiation;	114.c (c) 5-Fluoro-2- [[4-] (3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-1H- benzoimidazole, trifluoroacetic acid salt. (c) 5-Fluoro-2- [[4-] (3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-1H- benzoimidazole, trifluoroacetic acid salt. A mixture of the chlorobenzimidazole from step (b) above (170 mg, 1.0 mmol), [1- (3-TRIFLUOROMETHYLPYRIDIN-2-YL) PIPERAZINE] (347 mg, 1.5 mmol) and sodium bicarbonate (250 mg, 2.9 mmol) in isoamyl alcohol (2 mL) was heated at [150 °C] in a microwave synthesizer for 10 min. The reaction mixture was the cooled to room temperature, diluted with MeOH (3 mL), filtered and the filtrate was purified by preparative HPLC (gradient 0. [1 %] trifluoroacetic acid in acetonitrile) to give the title compound as an amorphous solid. MS (ESI, pos. ion) [ONLY] : 366 (M+1).

Reference： [1]Current Patent Assignee: AMGEN INC - WO2004/35549, 2004, A1 Location in patent: Page 135

3
[ 108662-49-3 ]
[ 1073560-20-9 ]
[ 1073558-68-5 ]

Yield	Reaction Conditions	Operation in experiment
24%	With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 180℃; for 0.666667h; Microwave irradiation;	8 Example 8: 8-(5-Fluoro-1 H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiror4.5ldecan-2-; A mixture of 3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrobromide (for a preparation see US4244961 , 50 mg, 0.16 mmol), 2-chloro-5-fluoro-1 H-benzimidazole (Intermediate 14, 26 mg), diisopropylethylamine (84 μl) and dimethylsulfoxide (1 ml) was heated to 180 0C in a microwave reactor and stirred for 40 minutes. The mixture was cooled to room temperature and partitioned between water and ethyl acetate. The organic layer was washed with water, filtered through a hydrophobic membrane (Phase Sep) and concentrated under vacuum to give the crude product (72 mg). The crude was purified by chromatography on silica gel eluting with cyclohexaneethyl acetate (1 :0 to 1 :4 gradient). The product-containing fractions were concentrated under vacuum to give a solid (17 mg), which was triturated with 1 :1 cyclohexane - DCM, then dried under vacuum at 40 C for 2 hours to give the title compound (14 mg, 24%). 1 H-NMR (400 MHz, DMSO-c/6): δ 11.59 (0.4H, br s), 11.48 (0.6H, br s), 7.57 (2H, d, J 8 Hz), 7.40 (2H, t, J 8 Hz), 7.20-7.09 (2H, m), 7.02-6.96 (1 H, m), 6.81-6.67 (1 H, m), 3.93 (2H, m), 3.83-3.73 (2H, m), 3.60-3.50 (2H, m), 2.02-1.91 (4H, m); HPLC-MS, 1 : 1.472 min, m/z 367 [M+H]+.

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2008/129007, 2008, A1 Location in patent: Page/Page column 71

4
[ 1544-75-8 ]
2-chloro-5-fluoro-1H-benzo[d]imidazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
88%	With trichlorophosphate; at 100℃; for 18h;	10279] A solution of 5-fluoro- 1 ,3-dihydro-2H-benzo[d] imidazol-2-one 2b (1.562 g, 10.3 mmol) in phosphorus oxychloride (14 mE, 154.5 mmol) was heated for 18 hours at 100 C. The reaction mixture was cooled to room temperature and excess of P0C13 was evaporated in vacuo. The residue was neutralized with saturated NaHCO3 solution (10 mE) and extracted with EtOAc (3x20 mE). The organic phase was washed with brine and then dried over Mg504, filtered, and concentrated under reduced pressure to afford 2-chloro-6-fluoro-l H-benzo[d]imidazole 3b (1.552 g, 88%). ?H NMR (400 MHz, DMSO-d5) oe 7.51 (s, 1H), 7.34 (d, J=7.6 Hz, 1H), 7.08 (m, 1H); MS (ESI): mlz 171.0 [M+l]
		Intermediate 14: 2-Chloro-5-fluoro-1 H-benzimidazole; A mixture of 5-fluoro-1 ,3-dihydro-2H-benzimidazol-2-one (Intermediate 15, 0.75 g, 4.1 mmol) and phosphorus oxychloride (2.1 ml) was heated to 110 0C and stirred for 5 hours.The mixture was cooled to room temperature and quenched by addition of ice. The mixture was left to stand 30 minutes, then basified to pH 9 with aqueous ammonium hydroxide solution. The resulting precipitate was filtered off, washed with water and dried under vacuum. The residue was dissolved in ethyl acetate, and filtered. The filtrate was concentrated under vacuum to give the title compound (0.49 g). 1 H-NMR (400 MHz,DMSO-d6): delta 7.52 (1 H, dd, J 9, 5 Hz), 7.35 (1 H, dd, J 9, 2.5 Hz) and 7.08 (1 H, ddd, J 10,9, 2.5 Hz). UPLC-MS: 0.55 min, m/z 171 [M+H]+.(Alternatively, 5-fluoro-2-chloro-1 H-benzimidazole is commercially available)

Reference： [1]Patent: US2017/290830,2017,A1 .Location in patent: Paragraph 0277; 0279
[2]Patent: WO2008/129007,2008,A1 .Location in patent: Page/Page column 36

5
[ 108662-49-3 ]
[ 192863-36-8 ]
[ 853645-23-5 ]

Yield	Reaction Conditions	Operation in experiment
20%	With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate In water; acetonitrile at 150℃; for 0.5h; Microwave irradiation;

Reference： [1]Savall, Brad M.; Fontimayor, Jill R. [Tetrahedron Letters, 2008, vol. 49, # 47, p. 6667 - 6669]

6
[ 172733-79-8 ]
[ 108662-49-3 ]
[ 438191-12-9 ]

Yield	Reaction Conditions	Operation in experiment
	With caesium carbonate In N,N-dimethyl-formamide at 150℃;

Reference： [1]Location in patent: scheme or table Ogino, Yoshio; Ohtake, Norikazu; Nagae, Yoshikazu; Matsuda, Kenji; Moriya, Minoru; Suga, Takuya; Ishikawa, Makoto; Kanesaka, Maki; Mitobe, Yuko; Ito, Junko; Kanno, Tetsuya; Ishihara, Akane; Iwaasa, Hisashi; Ohe, Tomoyuki; Kanatani, Akio; Fukami, Takehiro [Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 18, p. 5010 - 5014]

7
[ 108662-49-3 ]
[ 24424-99-5 ]
[ 256518-93-1 ]

Yield	Reaction Conditions	Operation in experiment
	With dmap In chloroform at 20℃;

8
[ 108662-49-3 ]
[ 77211-58-6 ]
[ 1073558-68-5 ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 180℃; for 0.666667h; Microwave irradiation;

Reference： [1]Location in patent: scheme or table Pizzi, Domenica Antonia; Leslie, Colin Philip; Mazzali, Angelica; Seri, Catia; Biagetti, Matteo; Bentley, Jonathan; Genski, Thorsten; Di Fabio, Romano; Contini, Stefania; Sabbatini, Fabio Maria; Zonzini, Laura; Caberlotto, Laura [Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 23, p. 7120 - 7123]

9
[ 583-42-6 ]
2-chloro-5-fluoro-1H-benzo[d]imidazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
92%	With trichlorophosphate; for 13.0h;Reflux;	Step 2) Synthesis of 2-chloro-5-fluoro-1H-benzo [d] imidazole To a 50 mL of reaction flask were added 5-fluoro-1H-benzo [d] imidazole-2-thiol (1.00 g, 6.57 mmol) and phosphorus oxychloride (25 mL) . The mixture was refluxed for 13 h. After the reaction is complete, the mixture was concentrated to remove excess phosphorus oxychloride. The resulting mixture was quenched with saturated sodium bicarbonate solution (15 mL) , and extracted with ethyl acetate (10 mL ? 3) . The combined organic layers were dried over anhydrous sodium sulfate and concentrated in vacuo to give the title compound as a pale yellow solid (1.03 g, 92.0%) .MS (ESI, pos. ion) m/z: 171.05 [M+H] +.

Reference： [1]Patent: WO2017/88759,2017,A1 .Location in patent: Paragraph 00236

10
[ 108662-49-3 ]
[ 74-88-4 ]
[ 401567-12-2 ]

Yield	Reaction Conditions	Operation in experiment
82%	Stage #1: 2-chloro-5-fluoro-1H-benzo[d]imidazole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.25h; Stage #2: methyl iodide In N,N-dimethyl-formamide; mineral oil for 0.25h;	5b Synthesis of Hydrazine 5b [0280] To a solution of NaH (546 mg, 60% dispersion in mineral oil) in DMF (10 mE) was added 2-chloro-6-fluoro- 1H-benzo[d]imidazole 3b (1.552 g, 9.09 mmol) in DMF (10 mE), at 0° C. The mixture was stirred for a further 15 minutes at this temperature. Then methyl iodide (0.74 mE, 11.8 mmol) was added and stirring was continued for additional 15 minutes. When TEC showed full conversion, the mixture was poured into 60 mE water and the compound was extracted with EtOAc. The organic phase was washed with brine and then dried over Mg504, filtered, and concentrated under reduced pressure. The residue was purified by flash chromatography using (hexane/ethyl acetate=l0: 1 to 4:1) to afford compound 4b (1.37 g, 82%). 1:1 mixture, z’H NMR (400 MHz, DMSO-d5) ö 7.62 (d, J=7.8 Hz, 1H), 7.59 (d, J=8.5 Hz, 1H), 7.55 (d, J=9.2 Hz, 1H), 7.43 (d, J=9.6 Hz, 1H), 7.19 (t, J=9.4 Hz, 1H), 7.10 (t, J=9.4 Hz, 1H), 3.79 (s, 3H), 3.77 (s, 3H); MS (ESI): mlz 185.0 [M+l]

Reference： [1]Current Patent Assignee: BAYLOR COLLEGE OF MEDICINE - US2017/290830, 2017, A1 Location in patent: Paragraph 0277; 0280

11
[ 367-31-7 ]
[ 108662-49-3 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 2 h / 0 - 20 °C 2: trichlorophosphate / 18 h / 100 °C
	Multi-step reaction with 2 steps 1.1: tetrahydrofuran / 0.33 h / 150 °C / Microwave irradiation 2.1: trichlorophosphate / 5 h / 110 °C 2.2: 20 °C / pH 9

Reference： [1]Current Patent Assignee: BAYLOR COLLEGE OF MEDICINE - US2017/290830, 2017, A1
[2]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2008/129007, 2008, A1

12
[ 108662-49-3 ]
[ 2414309-61-6 ]
[ 2414309-62-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: water; 1-methyl-pyrrolidin-2-one / 4 h / 150 °C / Sealed tube 2: caesium carbonate / N,N-dimethyl acetamide / 90 °C

Reference： [1]Current Patent Assignee: SICHUAN KELUN PHARMACEUTICAL COMPANY LIMITED - CN110467610, 2019, A

13
[ 108662-49-3 ]
[ 74-89-5 ]
[ 1352227-31-6 ]

Yield	Reaction Conditions	Operation in experiment
72%	In 1-methyl-pyrrolidin-2-one; water at 150℃; for 4h; Sealed tube;	7.1 Step 1: Preparation of 5-fluoro-N-methyl-1H-benzo[d]imidazol-2-amine (TM-7-1) Weigh 2-chloro-5-fluorobenzimidazole (300mg, 1.76mmol),Methylamine (681mg, 8.8mmol, 40% aqueous solution) was added to the reaction tube, and NMP (3mL) was added.The reaction tube was sealed, and the oil bath was reacted at 150 ° C for 4 hours. The reaction solution was concentrated.The crude product was purified by silica gel column chromatography to obtain compound TM-7-1 (165 mg, yield 72%).

Reference： [1]Current Patent Assignee: SICHUAN KELUN PHARMACEUTICAL COMPANY LIMITED - CN110467610, 2019, A Location in patent: Paragraph 0238-0241

14
[ 108662-49-3 ]
[ 459-46-1 ]
[ 130212-29-2 ]

Yield	Reaction Conditions	Operation in experiment
73.5%	With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 16h;	1 The specific preparation method includes: Add 5.00g (29.31mmol) of compound A1, 5.55g (29.31mmol) of compound B1 and 25mL of solvent DMF into the reaction flask, cool the system to 0°C, add 2.35g (58.62mmol) of NaH, slowly warm the system to room temperature, and stir at room temperature The reaction is over after 16h, Add 150 mL of water to the reaction system and stir for 10 min. Then add 150 mL of ethyl acetate (EA). After stirring for 5 min, the EA phase was collected by standing for liquid separation. The aqueous phase was extracted with 100 mL EA. The EA phases were combined and washed once with 100 mL of water. The organic phase was concentrated to obtain crude C1, which was purified by silica gel column chromatography (eluent PE:EA=4:1, v/v) to obtain 6.00 g of compound C1, with a yield of 73.5%.

Reference： [1]Current Patent Assignee: CHENGDU ACHI BIOPHARMACEUTICAL TECH; SOUTHWEST UNIVERSITY FOR NATIONALITIES - CN112778287, 2021, A Location in patent: Paragraph 0097-0101

15
[ 108662-49-3 ]
[ 1567007-42-4 ]
[ 2740550-05-2 ]

Yield	Reaction Conditions	Operation in experiment
	With di-isopropyl azodicarboxylate; triphenylphosphine In dichloromethane at 0 - 20℃; for 2h;	84.A Step A: l-(4-((2-chloro-6-fluoro-lH-benzo[d]imidazol-l-yl)methyl)benzyl)pyrrolidin-2-one 2-chloro-5-fluorobenzimidazole (199 mg, 1.169 mmol) and l-(4- (hydroxymethyl)benzyl)pyrrolidin-2-one (240 mg, 1.169 mmol) in DCM (2 mL) were added to triphenylphosphine (368 mg, 1.403 mmol) and diisopropyl azodicarboxylate (DIAD) (0.341 mL, 1.754 mmol) at 0 °C. The resulting mixture was stirred at 20 °C for 2 h. The reaction was filtered, and the filtrate was concentrated in vacuo. The residue was purified by silica gel chromatography with ethyl acetate and petroleum ether as eluent. The title compound was afforded as a mixture along with its regioisomer, l-(4-((2-chloro-6-fluoro-lH-benzo[d]imidazol-l- yl)methyl)benzyl)pyrrolidin-2-one. LCMS (ESI) m/z: 358 [M+H]+.
	With di-isopropyl azodicarboxylate; triphenylphosphine In dichloromethane at 0 - 20℃; for 2h;	84.A Step A: l-(4-((2-chloro-6-fluoro-lH-benzo[d]imidazol-l-yl)methyl)benzyl)pyrrolidin-2-one 2-chloro-5-fluorobenzimidazole (199 mg, 1.169 mmol) and l-(4- (hydroxymethyl)benzyl)pyrrolidin-2-one (240 mg, 1.169 mmol) in DCM (2 mL) were added to triphenylphosphine (368 mg, 1.403 mmol) and diisopropyl azodicarboxylate (DIAD) (0.341 mL, 1.754 mmol) at 0 °C. The resulting mixture was stirred at 20 °C for 2 h. The reaction was filtered, and the filtrate was concentrated in vacuo. The residue was purified by silica gel chromatography with ethyl acetate and petroleum ether as eluent. The title compound was afforded as a mixture along with its regioisomer, l-(4-((2-chloro-6-fluoro-lH-benzo[d]imidazol-l- yl)methyl)benzyl)pyrrolidin-2-one. LCMS (ESI) m/z: 358 [M+H]+.

Reference： [1]Current Patent Assignee: MERCK & CO INC - WO2021/226003, 2021, A1 Location in patent: Page/Page column 150
[2]Current Patent Assignee: MERCK & CO INC - WO2021/226003, 2021, A1 Location in patent: Page/Page column 150

16
[ 108662-49-3 ]
[ 1567007-42-4 ]
[ 2740549-09-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triphenylphosphine; di-isopropyl azodicarboxylate / dichloromethane / 2 h / 0 - 20 °C 2: acetic acid / 12 h / 80 °C

Reference： [1]Current Patent Assignee: MERCK & CO INC - WO2021/226003, 2021, A1

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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
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

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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. 108662-49-3 ] {[proInfo.proName]}

Quality Control of [ 108662-49-3 ]

Related Doc. of [ 108662-49-3 ]

Product Details of [ 108662-49-3 ]

Calculated chemistry of [ 108662-49-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 108662-49-3 ]

Application In Synthesis of [ 108662-49-3 ]

[ 108662-49-3 ] Synthesis Path-Downstream 1~16

Related Functional Groups of [ 108662-49-3 ]

Fluorinated Building Blocks

Chlorides

Related Parent Nucleus of [ 108662-49-3 ]

Benzimidazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 108662-49-3 ]

Related Parent Nucleus of
[ 108662-49-3 ]