[ CAS No. 154235-77-5 ] {[proInfo.proName]}

Name: 154235-77-5|Benzo[d]oxazole-6-carboxylic acid|97%
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Quality Control of [ 154235-77-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 154235-77-5 ]

CAS No. :	154235-77-5	MDL No. :	MFCD09954949
Formula :	C₈H₅NO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	FRNTUFQKHQMLSE-UHFFFAOYSA-N
M.W :	163.13	Pubchem ID :	22245938
Synonyms :

Calculated chemistry of [ 154235-77-5 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	40.97
TPSA :	63.33 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) :	-6.5 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.27
Log Po/w (XLOGP3) :	1.12
Log Po/w (WLOGP) :	1.53
Log Po/w (MLOGP) :	0.58
Log Po/w (SILICOS-IT) :	1.25
Consensus Log Po/w :	1.15

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-2.05
Solubility :	1.47 mg/ml ; 0.00899 mol/l
Class :	Soluble
Log S (Ali) :	-2.04
Solubility :	1.48 mg/ml ; 0.00905 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.28
Solubility :	0.86 mg/ml ; 0.00527 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.99

Safety of [ 154235-77-5 ]

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 [ 154235-77-5 ]

* 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 [ 154235-77-5 ]
Downstream synthetic route of [ 154235-77-5 ]

[ 154235-77-5 ] Synthesis Path-Upstream 1~3

1
[ 154235-77-5 ]
[ 594839-88-0 ]

Reference： [1] Chemistry - A European Journal, 2011, vol. 17, # 36, p. 10113 - 10122

2
[ 2374-03-0 ]
[ 154235-77-5 ]

Reference： [1] Patent: US2003/73707, 2003, A1,

3
[ 2374-03-0 ]
[ 149-73-5 ]
[ 154235-77-5 ]

Reference： [1] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 24, p. 8219 - 8248
[2] Patent: EP1229027, 2002, A1, . Location in patent: Page 17
[3] Patent: EP1229028, 2002, A1, . Location in patent: Page 17
[4] Patent: EP1229037, 2002, A1, . Location in patent: Page 17
[5] Chemistry - A European Journal, 2011, vol. 17, # 36, p. 10113 - 10122
[6] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 12, p. 3242 - 3253

[ 154235-77-5 ] Synthesis Path-Downstream 1~21

1
[ 2374-03-0 ]
[ 149-73-5 ]
[ 154235-77-5 ]

Yield	Reaction Conditions	Operation in experiment
	Heating;	General procedure: A solution of 4-amino-3-hydroxybenzoic acid (1 equiv.) and substituted trimethyl orthoformate (3 equiv.) was heated to 100 C for 3 h. At the end of the reaction, the solution was cooled toroom temperature and diluted with MeOH. The solvent was removed under reduced pressure to give the target product 1e-f.
	In 1,4-dioxane; for 6h;Reflux;	1.53 g (1 mmol) of 4-amino-3-hydroxybenzoic acid was dissolved in 30 ml of 1,4-dioxane, and 2.12 g (2 mmol)of trimethoxymethane was added thereto, followed by heating to reflux for 6 h. The reaction mixture was pouredinto ice water, the pH was adjusted to 2-3 using 2N hydrochloric acid, and the obtained solid was filtered anddried to give the desired compound.

Reference： [1]Bioorganic and Medicinal Chemistry,2006,vol. 14,p. 8219 - 8248
[2]Patent: EP1229027,2002,A1 .Location in patent: Page 17
[3]Patent: EP1229037,2002,A1 .Location in patent: Page 17
[4]Chemistry - A European Journal,2011,vol. 17,p. 10113 - 10122
[5]Bioorganic and Medicinal Chemistry,2018,vol. 26,p. 3242 - 3253
[6]Patent: CN109232396,2019,A .Location in patent: Paragraph 0081; 0082

2
[ 154235-77-5 ]
[ 6530-09-2 ]
[ 110-17-8 ]
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-1,3-benzoxazole-6-carboxamide fumarate [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2006,vol. 14,p. 8219 - 8248

3
[ 154235-77-5 ]
C₈H₄ClNO₂ [ No CAS ]

Reference： [1]Patent: EP1229027,2002,A1 .Location in patent: Page 17
[2]Patent: EP1229037,2002,A1 .Location in patent: Page 17
[3]Chemistry - A European Journal,2011,vol. 17,p. 10113 - 10122

Yield	Reaction Conditions	Operation in experiment
		A portion of this material (1.00 g) and zinc chloride (3.76 g) were suspended in m-xylene (135 mL), and treated with 2 drops of concentrated sulfuric acid. The reaction mixture was azeotroped for 8 h, cooled to room temperature, and treated with water (20 mL). The resulting solid was collected by filtration, washed with water, and dried under high vacuum to afford benzoxazole-6-carboxylic acid.

5
[ 2374-03-0 ]
[ 154235-77-5 ]

Yield	Reaction Conditions	Operation in experiment
89%	With trimethyl orthoformate;	Method A. Preparation of 1,3-benzoxazole-6-carboxylic Acid (Acid C1). A mixture of 4-amino-3-hydroxybenzoic acid (250 mg. 1.63 mmol) and trimethyl orthoformate (500 muL, 4.57 mmol) is heated in an oil bath at 100 C. for 2 h. The mixture is cooled to rt and diluted with MeOH. The resulting solution is filtered through a pad of Celite, and the filtrate is concentrated in vacuo to give Acid C1 as a brown solid (237 mg, 89%): 1H NMR (DMSO-d6) delta 13.2, 8.9, 8.3, 8.0, 7.9.

Reference： [1]Patent: US2003/73707,2003,A1

6
[ 154235-77-5 ]
[ 198554-72-2 ]
[ 198554-21-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2008,vol. 16,p. 9804 - 9816

7
[ 154235-77-5 ]
[ 1334429-35-4 ]

Reference： [1]Chemistry - A European Journal,2011,vol. 17,p. 10113 - 10122

8
[ 154235-77-5 ]
4-(3,5-dichlorophenyl-6-benzoxazoyl)morpholine [ No CAS ]

Reference： [1]Chemistry - A European Journal,2011,vol. 17,p. 10113 - 10122

9
[ 154235-77-5 ]
[ 594839-88-0 ]

Reference： [1]Chemistry - A European Journal,2011,vol. 17,p. 10113 - 10122

10
[ 154235-77-5 ]
C₂₀H₃₄N₂O₃ [ No CAS ]
C₂₇H₃₅N₃O₅ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; In dichloromethane; at 20℃;	General procedure: tert-butyl (2S,3R)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-ylcarbamate (6) (31.0 g) in dichloromethane was added to a solution of benzothiazole-6-carboxylic acid (1.05 eq), triethylamine (1.5 eq) and HATU (2-(7-aza-1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate, 1.05 eq) in dichloromethane (500 mL). The reaction mixture was stirred at room temperature overnight. Water was added and the phases were separated. The organic phase was three times washed with a saturated aqueous Na2CO3 solution, brine, dried with MgSO4 and concentrated under reduced pressure. The residue was purified by column chromatography (eluent: dichloromethane dichloromethane / methanol 95:5) to afford compound 8 quantitative.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 4998 - 5002

11
[ 154235-77-5 ]
C₂₀H₃₄N₂O₃ [ No CAS ]
[ 1393746-99-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 4998 - 5002

12
[ 154235-77-5 ]
[ 462-08-8 ]
[ 1552311-76-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2014,vol. 24,p. 954 - 962

13
[ 154235-77-5 ]
N-(2-amino-4-carbamoylphenyl)-4-(2-oxopyridin-1(2H)-yl)benzamide [ No CAS ]
N-(5-carbamoyl-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)phenyl)benzo[d]oxazole-6-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
57%		General procedure: A solution containing 4-methoxybenzoic acid (0.46 g,3.0 mmol), HOBTH2O (0.46 g, 3.0 mmol) and dry DMF (20 mL) wascooled to 0 C. EDCI (0.86 g, 4.5 mmol) was added to the solution.The mixture was stirred at room temperature for 30 min thencooled to 0 C. Compound 6 (0.70 g, 2.0 mmol) was added to themixture and stirred for 48 h at room temperature. The reactionmixture was poured into ice-water (100 mL). The resulting precipitatewas collected by filtration and purified by recrystallizationfrom DMF/EtOAc. Yellow solid (0.60 g, 62%), m.p. 286e288 C.

Reference： [1]European Journal of Medicinal Chemistry,2015,vol. 101,p. 41 - 51

14
[ 154235-77-5 ]
titanium(IV) tetraethanolate [ No CAS ]
[ 38227-87-1 ]
2Li⁽¹⁺⁾*Ti⁽⁴⁺⁾*4C₂H₅O^(1-)*2C₈H₄NO₃^(1-) [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2016,vol. 14,p. 1593 - 1598

15
[ 154235-77-5 ]
20'-aminovinblastine [ No CAS ]
C₅₄H₆₂N₆O₁₀ [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 7591 - 7604

16
[ 154235-77-5 ]
[ 37592-53-3 ]
isopropyl (S)-2-(benzo[d]oxazole-6-carboxamido)-3-(1H-imidazol-1-yl)propanoate [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2018,vol. 26,p. 3242 - 3253

17
[ 154235-77-5 ]
[ 37592-53-3 ]
C₁₄H₁₆N₂O₅ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		General procedure: To a solution of the intermediate acid compound 1a-f (1 equiv.)in anhydrous DMF was added EDCI (1.1 equiv) and HOBt (1.1equiv), respectively. The reaction mixture was stirred for 1 h at ambient temperature, and the L-serine ester (1.1 equiv.) and DIEA(3 equiv.) were added. The solution was heated to 70 C for 6 hand then cooled to room temperature. The reaction mixture was poured into ice water, and the resulting solid was filtered and dried to give the desired compound.

Reference： [1]Bioorganic and Medicinal Chemistry,2018,vol. 26,p. 3242 - 3253

18
[ 154235-77-5 ]
[ 874-25-9 ]
2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl benzo[d]oxazole-6-carboxylate [ No CAS ]

Reference： [1]ChemBioChem,2019,vol. 20,p. 394 - 407

19
[ 154235-77-5 ]
1-(3-((5-aminopyridin-3-yl)amino)-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl)pyrrolidin-2-one hydrochloride [ No CAS ]
N-(5-((5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl)amino)pyridin-3-yl)benzo[d]oxazole-6-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
29%	With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; at 30℃; for 4h;	A mixture of l-(3-((5-aminopyridin-3-yl)amino)-5-methyl-5H-chromeno[4,3- c]pyridin-8-yl)pyrrolidin-2-one (60 mg, 0.14 mmol, HC1 salt), <strong>[154235-77-5]benzo[d]oxazole-6-carboxylic acid</strong> (28 mg, 0.17 mmol) and EDCI.HC1 (33 mg, 0.17 mmol) in pyridine (2 mL) was heated at 30 C for 4 h. A yellow solution was formed. LCMS (Rt = 0.713 min; MS Calcd: 532.2; MS Found: 533.1 [M+H]+). The mixture was concentrated and the residue was poured into water (20 mL) and stirred for 2 minutes. The aqueous layer was extracted with ethyl acetate (20 mL x3). The combined organic layer was washed with water (20 mL x2) and brine (20 mL), dried over anhydrous Na2S04, filtered and concentrated. The residue was purified by prep-HPLC (0.225% FA as an additive) and lyophilized to give side product 4-formamido-3-hydroxy-N- (5-((5-methyl-8-(2-oxopyrrolidin-l-yl)-5H-chromeno[4,3-c]pyridin-3-yl)amino)pyridin-3- yl)benzamide (109A) (15.9 mg, yield: 20%) as a yellow solid. (1390) NMR (400 MHz DMSO-rie) d 1.56 (3H, d, J= 6.5 Hz), 2.02-2.10 (2H, m), 2.52-2.54 (2H, m, overlapped with the peak of DMSO), 3.84 (2H, t, J= 7.4 Hz), 5.29 (1H, q , J= 6.5 Hz), 6.81 (1H, s), 7.32 (1H, dd, J= 8.5, 2.0 Hz), 7.40 (1H, d, J= 2.0 Hz), 7.48-7.53 (2H, m), 7.89 (1H, d, J= 8.5 Hz), 8.27 (1H, d , J= 8.5 Hz), 8.37 (1H, d, J= 1.3 Hz), 8.56-8.62 (1H, m), 8.70 (1H, s), 8.74 (1H, s), 8.84 (1H, s), 9.78 (1H, brs), 9.84 (1H, brs), 10.51 (2H, brs).

Reference： [1]Patent: WO2019/126730,2019,A1 .Location in patent: Paragraph 0487

20
[ 154235-77-5 ]
1-(3-((5-aminopyridin-3-yl)amino)-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl)pyrrolidin-2-one hydrochloride [ No CAS ]
4-formamido-3-hydroxy-N-(5-((5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl)amino)pyridin-3-yl)benzamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
20%	With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; at 30℃; for 4h;	A mixture of l-(3-((5-aminopyridin-3-yl)amino)-5-methyl-5H-chromeno[4,3- c]pyridin-8-yl)pyrrolidin-2-one (60 mg, 0.14 mmol, HC1 salt), <strong>[154235-77-5]benzo[d]oxazole-6-carboxylic acid</strong> (28 mg, 0.17 mmol) and EDCI.HC1 (33 mg, 0.17 mmol) in pyridine (2 mL) was heated at 30 C for 4 h. A yellow solution was formed. LCMS (Rt = 0.713 min; MS Calcd: 532.2; MS Found: 533.1 [M+H]+). The mixture was concentrated and the residue was poured into water (20 mL) and stirred for 2 minutes. The aqueous layer was extracted with ethyl acetate (20 mL x3). The combined organic layer was washed with water (20 mL x2) and brine (20 mL), dried over anhydrous Na2S04, filtered and concentrated. The residue was purified by prep-HPLC (0.225% FA as an additive) and lyophilized to give side product 4-formamido-3-hydroxy-N- (5-((5-methyl-8-(2-oxopyrrolidin-l-yl)-5H-chromeno[4,3-c]pyridin-3-yl)amino)pyridin-3- yl)benzamide (109A) (15.9 mg, yield: 20%) as a yellow solid. (1390) NMR (400 MHz DMSO-rie) d 1.56 (3H, d, J= 6.5 Hz), 2.02-2.10 (2H, m), 2.52-2.54 (2H, m, overlapped with the peak of DMSO), 3.84 (2H, t, J= 7.4 Hz), 5.29 (1H, q , J= 6.5 Hz), 6.81 (1H, s), 7.32 (1H, dd, J= 8.5, 2.0 Hz), 7.40 (1H, d, J= 2.0 Hz), 7.48-7.53 (2H, m), 7.89 (1H, d, J= 8.5 Hz), 8.27 (1H, d , J= 8.5 Hz), 8.37 (1H, d, J= 1.3 Hz), 8.56-8.62 (1H, m), 8.70 (1H, s), 8.74 (1H, s), 8.84 (1H, s), 9.78 (1H, brs), 9.84 (1H, brs), 10.51 (2H, brs).

Reference： [1]Patent: WO2019/126730,2019,A1 .Location in patent: Paragraph 0486

21
[ 154235-77-5 ]
4-(6-((5-aminopyridin-3-yl)amino)pyridin-3-yl)-N,N-dimethylbenzamide [ No CAS ]
N-(5-((5-(4-(dimethylcarbamoyl)phenyl)pyridin-2-yl)amino)pyridin-3-yl)benzo[d]oxazole-6-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
7%	With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; at 50℃; for 2h;	Example 136: N-(5-((5-(4-(dimethylcarbamoyl)phenyl)pyridin-2-yl)amino)pyridin-3- yl)benzo [d] oxazole-6-carboxamide. [0703] To a mixture of 4-(6-((5-aminopyridin-3-yl)amino)pyridin-3-yl)-N,N- dimethylbenzamide (50 mg, 0.15 mmol) in pyridine (2 mL) was added benzo[d]oxazole-6- carboxybc acid (37 mg, 0.22 mmol) and EDOHC1 (43 mg, 0.22 mmol), the reaction mixture was stirred at 50 C for 2 h to give a brown suspension. LCMS (Rt = 1.152 min; MS Calc'd: 478.2; MS Found: 479.2 [M+H]+). The mixture was concentrated under reduced pressure to give a residue. The residue was purified by washing with MeOH/water (5 mL/l mL) to give a crude product. The impure product was further purified by prep-HPLC (0.05% NH3.H2O as an additive) to give an impure product. Then further purified by washing with MeOH (2 mL) to give N-(5-((5-(4-(dimethylcarbamoyl)phenyl)pyridin-2-yl)amino)pyri din-3- yl)benzo[d]oxazole-6-carboxamide (5.2 mg, yield: 7%) as a white solid. LCMS (Agilent LCMS 1200-6140 A, mobile phase: from 99% [water + 0.1% FA] and 1% [MeCN + 0.1% FA] to 95% [water + 0.1% FA] and 5% [MeCN + 0.1% FA] in 0.6 min, then changed to 100% [MeCN + 0.1% FA] under this condition for 3.4 min, finally back to 99% [water + 0.1% FA] and 1% [MeCN + 0.1% FA] and under this condition for 0.5 min.) purity is 98.01%, Rt = 2.231 min; MS Calc'd.: 478.2; MS Found: 479.3 [M+H]+. NMR (400 MHz, DMSO-rfc) d 2.94- 3.06 (6H, m), 7.01 (1H, d, J= 8.4 Hz), 7.49 (2H, d, J= 8.4 Hz), 7.73 (2H, d, J= 8.4 Hz), 7.97 (1H, d, J= 8.4 Hz), 8.01 (1H, dd, J= 8.4, 2.4 Hz), 8.07 (1H, dd, J= 8.0, 2.0 Hz), 8.44 (1H, d, J= 1.2 Hz), 8.53 (1H, d, J= 2.0 Hz), 8.59 (1H, d, J= 2.4 Hz), 8.70-8.75 (2H, m), 8.95 (1H, s), 9.53 (1H, br s), 10.55 (1H, br s),

Reference： [1]Patent: WO2019/126731,2019,A1 .Location in patent: Paragraph 0703

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P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
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. 154235-77-5 ] {[proInfo.proName]}

Quality Control of [ 154235-77-5 ]

Related Doc. of [ 154235-77-5 ]

Product Details of [ 154235-77-5 ]

Calculated chemistry of [ 154235-77-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 154235-77-5 ]

Application In Synthesis of [ 154235-77-5 ]

[ 154235-77-5 ] Synthesis Path-Upstream 1~3

[ 154235-77-5 ] Synthesis Path-Downstream 1~21

Related Functional Groups of [ 154235-77-5 ]

Carboxylic Acids

Related Parent Nucleus of [ 154235-77-5 ]

Benzoxazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 154235-77-5 ]

Related Parent Nucleus of
[ 154235-77-5 ]