[ CAS No. 207989-87-5 ] {[proInfo.proName]}

Name: 207989-87-5|5-(4-Hydroxyphenyl)pyrrolidin-2-one|95%
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Quality Control of [ 207989-87-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 207989-87-5 ]

Product Details of [ 207989-87-5 ]

CAS No. :	207989-87-5	MDL No. :	MFCD15527559
Formula :	C₁₀H₁₁NO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BVEBXSJCBLQXPZ-UHFFFAOYSA-N
M.W :	177.20	Pubchem ID :	11116595
Synonyms :

Calculated chemistry of [ 207989-87-5 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.3
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	52.65
TPSA :	49.33 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) :	-6.83 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.34
Log Po/w (XLOGP3) :	0.78
Log Po/w (WLOGP) :	0.64
Log Po/w (MLOGP) :	0.88
Log Po/w (SILICOS-IT) :	1.67
Consensus Log Po/w :	1.06

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.71
Solubility :	3.49 mg/ml ; 0.0197 mol/l
Class :	Very soluble
Log S (Ali) :	-1.4
Solubility :	7.11 mg/ml ; 0.0401 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.64
Solubility :	0.407 mg/ml ; 0.0023 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.56

Safety of [ 207989-87-5 ]

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 [ 207989-87-5 ]

* 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 [ 207989-87-5 ]
Downstream synthetic route of [ 207989-87-5 ]

[ 207989-87-5 ] Synthesis Path-Upstream 1~3

1
[ 128100-35-6 ]
[ 207989-87-5 ]

Yield	Reaction Conditions	Operation in experiment
57%	Stage #1: With boron tribromide In dichloromethane at -78 - 20℃; Stage #2: With water; sodium hydrogencarbonate In dichloromethane	To a stirring -78 ⁰C solution of 5-(4-methoxyphenyl)pyrrolidin-2-one (0.38 g, 2.0 mmol) in DCM (13 mL) was added dropwise boron tribromide (2.6 mL of 1 M solution in DCM, 2.6 mmol). After 1 h the cold bath was removed and the mixture continued to stir at ambient temperature overnight. The solvent was evaporated to give a tan solid. The reaction was diluted with DCM and quenched by the addition of an aqueous sodium bicarbonate solution until pH 7. The mixture was filtered to collect the title compound as an off-white solid (0.20 g, 57percent). Exact mass calculated for C₁₀H₁₁NO₂: 177.2, found: LCMS m/z = 178.1 [M+H]⁺.

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 13, p. 3564 - 3568
[2] Patent: WO2009/58300, 2009, A1, . Location in patent: Page/Page column 78

2
[ 39662-63-0 ]
[ 108-95-2 ]
[ 207989-87-5 ]

Reference： [1] Patent: US6489490, 2002, B1,
[2] Patent: US6599924, 2003, B1,
[3] Patent: US6632833, 2003, B1,

3
[ 39662-63-0 ]
[ 7664-93-9 ]
[ 108-95-2 ]
[ 207989-87-5 ]

Reference： [1] Patent: US6274613, 2001, B1,

[ 207989-87-5 ] Synthesis Path-Downstream 1~26

1
4-amino-4-(4-hydroxy-phenyl)-butyric acid [ No CAS ]
[ 207989-87-5 ]

Reference： [1]Archiv der Pharmazie,1951,vol. 284,p. 209,214

2
[ 899808-27-6 ]
[ 207989-87-5 ]
[ 899808-28-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

3
[ 37595-74-7 ]
[ 207989-87-5 ]
[ 207989-88-6 ]

Yield	Reaction Conditions	Operation in experiment
96%	With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃;	DIEA (2.89 mL, 16.6 mmol) was added to a solution of 5-(4-hydroxyphenyl)-2- pyrrolidinone (1.47 g, 8.30 mmol) andiV-phenyltrifluoromethanesulfonimide (4.45 g, 12.45 mmol) in 10 mL of DMF, and the mixture was stirred at rt overnight. The reaction mixture was diluted with EtOAc (100 mL) and washed with brine (50 mL), H2O (3 x 50 mL), and brine (50 mL). The organic layer was separated, dried over MgStheta4, and concentrated. Chromatography on a Biotage 40+M cartridge using EtOAc as the eluant afforded 2.45 g (96 %) of the title EPO <DP n="34"/>compound as a white solid: 1 H NMR delta 1.90-1.98 (m, IH), 2.38-2.51 (m, 2H), 2.57-2.65 (m, IH), 4.81 (t, J = 7.1, IH), 6.92 (br. s, IH), 7.27-7.30 (m, 2H), 7.38-7.42 (m, 2H).

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568
[2]Patent: WO2006/47195,2006,A2 .Location in patent: Page/Page column 32-33

4
[ 128100-35-6 ]
[ 207989-87-5 ]

Yield	Reaction Conditions	Operation in experiment
57%		To a stirring -78 0C solution of 5-(4-methoxyphenyl)pyrrolidin-2-one (0.38 g, 2.0 mmol) in DCM (13 mL) was added dropwise boron tribromide (2.6 mL of 1 M solution in DCM, 2.6 mmol). After 1 h the cold bath was removed and the mixture continued to stir at ambient temperature overnight. The solvent was evaporated to give a tan solid. The reaction was diluted with DCM and quenched by the addition of an aqueous sodium bicarbonate solution until pH 7. The mixture was filtered to collect the title compound as an off-white solid (0.20 g, 57%). Exact mass calculated for C10H11NO2: 177.2, found: LCMS m/z = 178.1 [M+H]+.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568
[2]Patent: WO2009/58300,2009,A1 .Location in patent: Page/Page column 78

5
[ 207989-87-5 ]
[ 461440-95-9 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

6
[ 207989-87-5 ]
(3S,5R)-3-Allyl-5-(4-cyano-phenyl)-2-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

7
[ 207989-87-5 ]
(3R,5R)-3-Allyl-5-(4-cyano-phenyl)-2-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568
[2]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

8
[ 207989-87-5 ]
5-[4-(4-phenyl-5-trifluoromethyl-thiophen-2-ylmethoxy)-phenyl]-pyrrolidine-3-carboxylic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

9
[ 207989-87-5 ]
[ 899808-33-4 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

10
[ 207989-87-5 ]
[ 899808-31-2 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

11
[ 207989-87-5 ]
{5-[4-(4-phenyl-5-trifluoromethyl-thiophen-2-ylmethoxy)-phenyl]-pyrrolidin-3-yl}-acetic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

12
[ 207989-87-5 ]
[ 899808-29-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

13
[ 207989-87-5 ]
[ 899808-37-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

14
[ 207989-87-5 ]
[ 899808-39-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

15
[ 207989-87-5 ]
[ 899808-40-3 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

16
[ 207989-87-5 ]
[ 899808-36-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

17
[ 207989-87-5 ]
[ 899808-30-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

18
[ 207989-87-5 ]
[ 899808-35-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

19
[ 207989-87-5 ]
[ 899808-41-4 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

20
[ 207989-87-5 ]
4-ethoxycarbonyloxycarbonyl-2-[4-(4-phenyl-5-trifluoromethyl-thiophen-2-ylmethoxy)-phenyl]-pyrrolidine-1-carboxylic acid <i>tert</i>-butyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

21
[ 207989-87-5 ]
[ 339087-31-9 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

22
[ 100-66-3 ]
enanthoyl chloride [ No CAS ]
[ 207989-87-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3564 - 3568

23
4-hydroxyimino-4-(4-hydroxy-phenyl)-butyric acid [ No CAS ]
[ 207989-87-5 ]

Reference： [1]Archiv der Pharmazie,1951,vol. 284,p. 209,214

24
[ 207989-87-5 ]
[ 358-23-6 ]
[ 207989-88-6 ]

Yield	Reaction Conditions	Operation in experiment
	In pyridine;	Example XVII-2 At 0 C., 10 g of trifluoromethanesulphonic anhydride were added dropwise to 5.23 g of gamma-4-hydroxyphenyl-gamma-butyrolactam (for example from Ex. XI-2) in 60 ml of pyridine. The mixture was stirred at room temperature overnight, then poured onto ice, acidified with 10% strength hydrochloric acid and extracted three times with ethyl acetate. Drying and evaporation of the solvent gave 6.4 g (70% of theory) of gamma-4-trifluoromethylsulphonyloxyphenyl-gamma-butyrolactam of melting point 127 C.
	In pyridine;	Example XVI-2 At 0 C., 10 g of trifluoromethanesulphonic anhydride were added dropwise to 5.23 g of gamma-4-hydroxyphenyl-gamma-butyrolactam (for example from Ex. X-2) in 60 ml of pyridine. The mixture was stirred at room temperature overnight and then poured, onto ice, acidified with 10% strength hydrochloric acid and extracted three times with ethyl acetate. Drying and evaporation of the solvent gave 6.4 g (70% of theory) of gamma-4-trifluoromethylsulphonyloxyphenyl-gamma-butyrolactam of melting point 127 C.
	With hydrogenchloride; In pyridine; ethyl acetate;	EXAMPLE XVII-2 At 0 C., 10 g of trifluoromethanesulphonic anhydride were added dropwise to 5.23 g of gamma-4-Hydroxyphenyl-gamma-butyrolactam (for example from Ex. XI-2) in 60 ml of pyridine. After stirring overnight at room temperature, the reaction mixture was poured onto ice, acidified using 10% strength hydrochloric acid and extracted three times using ethyl acetate. After drying and evaporation of the solvent, 6.4 g (70% of theory) of gamma-4-trifluoromethylsulphonyloxyphenyl-gamma-butyrolactam of melting point 127 C. were obtained.

With pyridine; In acetonitrile; at 0℃; for 0.5h;

To a stirred slurry of <strong>[207989-87-5]5-(4-hydroxyphenyl)pyrrolidin-2-one</strong> (0.20 g, 1.1 mmol) in acetonitrile (4 mL) was added pyridine (0.37 mL, 4.5 mmol). The mixture was cooled to 0 0C and trifluoromethanesulfonic anhydride (0.29 mL, 1.7 mmol) was added dropwise. After 30 min the solvent was evaporated and the dark residue was washed with (10: 1) MTBE/EtOAc. A solid precipitated which contained no desired product. The decanted liquid was evaporated to give the <n="81"/>title compound with impurities as an oily solid (0.30 g, 85%). Exact mass calculated for C10H11NO2: 309.0, found: LCMS m/z = 310.4 [M+H]+.

Reference： [1]Patent: US6489490,2002,B1
[2]Patent: US6599924,2003,B1
[3]Patent: US6274613,2001,B1
[4]Patent: WO2009/58300,2009,A1 .Location in patent: Page/Page column 78-79

25
[ 39662-63-0 ]
[ 108-95-2 ]
[ 207989-87-5 ]

Yield	Reaction Conditions	Operation in experiment
	With conc. sulphuric acid; In cyclohexane; acetic acid; ethyl acetate;	Example XI-2 At 0 C., 12.9 g of gamma-ethoxy-gamma-butyrolactam, 10 ml of conc. sulphuric acid and 90 ml of glacial acetic acid were initially charged and admixed, a little at a time, with a total of 18.8 g of phenol. After thawing, the mixture was stirred at room temperature for 2 days. For work-up, the mixture was poured onto ice and extracted three times with ethyl acetate, and the combined extracts were washed once each with water and saturated sodium chloride solution, dried and concentrated. After some time, gamma-2-hydroxyphenyl-gamma-butyrolactam (XI-2b) of melting point 220 C. (6.4 g, 36% of theory) crystallized from the aqueous phase. The residue obtained after concentration was stirred with a 1:1 mixture of cyclohexane/ethyl acetate and gave, after filtration with suction, 4.65 g of gamma-4-hydroxyphenyl-gamma-butyrolactam (XI-2a) of melting point 183 C. The filtrate was concentrated. A further 3.35 g (total: 45% of theory) of gamma-4-hydroxyphenyl-gamma-butyrolactam were obtained by recrystallization from dichloromethane/hexane.
	With conc. sulphuric acid; In cyclohexane; acetic acid; ethyl acetate;	Example X-2 12.9 g of gamma-ethoxy-gamma-butyrolactam, 10 ml of conc. sulphuric acid and 90 ml of glacial acetic acid were initially charged at 0 C. and admixed a little at a time with a total of 18.8 g of phenol. After thawing, the mixture was stirred at room temperature for 2 days. For work-up, the mixture was poured onto ice and extracted three times with ethyl acetate, and the combined extracts were washed once each with water and saturated sodium chloride solution, dried and evaporated. After some time, gamma-2-hydroxyphenyl-gamma-butyrolactam (X-2b) of melting point 220 C. (6.4 g 36% of theory) crystallized form the aqueous phase. The evaporation residue was stirred with a 1:1 mixture of cyclohexane/ethyl acetate and gave, after filtration with suction, 4.65 g of gamma4-hydroxyphenyl-gamma-butyrolactam (X-2a) of melting point 183 C. The filtrate was concentrated. Recrystallization from dichloromethane/hexane gave a further 3.35 g (total: 45% of theory) of gamma-4-hydroxyphenyl-gamma-butyrolactam.
	With conc. sulphuric acid; In cyclohexane; acetic acid; ethyl acetate;	Example XI-2 At 0 C., 12.9 g of gamma-ethoxy-gamma-butyrolactam, 10 ml of conc. sulphuric acid and 90 ml of glacial acetic acid were initially charged and admixed, a little at a time, with a total of 18.8 g of phenol. After thawing, the mixture was stirred at room temperature for 2 days. For work-up, the mixture was poured onto ice and extracted three times with ethyl acetate, and the combined extracts were washed once each with water and saturated sodium chloride solution, dried and concentrated. After some time, gamma-2-hydroxyphenyl-y-butyrolactam (XI-2b) of melting point 220 C. (6.4 g, 36% of theory) crystallized from the aqueous phase. The residue obtained after concentration was stirred with a 1:1 mixture of cyclohexane/ethyl acetate and gave, after filtration with suction, 4.65 g of gamma-4-hydroxyphenyl-gamma-butyrolactam (XI-2a) of melting point 183 C. The filtrate was concentrated. A further 3.35 g (total: 45% of theory) of gamma-4-hydroxyphenyl-gamma-butyrolactam were obtained by recrystallization from dichloromethane/hexane.

Reference： [1]Patent: US6489490,2002,B1
[2]Patent: US6599924,2003,B1
[3]Patent: US6632833,2003,B1

26
[ 39662-63-0 ]
[ 7664-93-9 ]
[ 108-95-2 ]
[ 207989-87-5 ]

Yield	Reaction Conditions	Operation in experiment
	In cyclohexane; acetic acid; ethyl acetate;	EXAMPLE XI-2 12.9 g of gamma-ethoxy-gamma-butyrolactam, 10 ml of concentrated sulphuric acid and 90 ml of glacial acetic acid were charged initially at 0 C. and admixed a little at a time with a total of 18.8 g of phenol. After thawing, the mixture was stirred at room temperature for 2 days. For work-Up, the mixture was poured onto ice and extracted three times with ethyl acetate, and the combined extracts were washed once with water and once with saturated aqueous sodium chloride solution, dried and evaporated. After some time, gamma-2-hydroxyphenyl-gamma-butyrolactam (XI-2b) of melting point 220 C. (6.4 g, 36% of theory) crystallized from the aqueous phase. The residue obtained on evaporation was stirred with 1:1 mixture of cyclohexane/ethyl acetate and afforded on filtration with suction 4.65 g of gamma-4-hydroxyphenyl-gamma-butyrolactam (XI-2a) of melting point 183 C. The filtrate was evaporated. Recrystallization from dichloromethane/hexane gave a further 3.35 g (total 45% of theory) of gamma-4-hydroxyphenyl-gamma-butyrolactam.

Reference： [1]Patent: US6274613,2001,B1

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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. 207989-87-5 ] {[proInfo.proName]}

Quality Control of [ 207989-87-5 ]

Related Doc. of [ 207989-87-5 ]

Product Details of [ 207989-87-5 ]

Calculated chemistry of [ 207989-87-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 207989-87-5 ]

Application In Synthesis of [ 207989-87-5 ]

[ 207989-87-5 ] Synthesis Path-Upstream 1~3

[ 207989-87-5 ] Synthesis Path-Downstream 1~26

Related Functional Groups of [ 207989-87-5 ]

Aryls

Amides

Related Parent Nucleus of [ 207989-87-5 ]

Aliphatic Heterocycles

Pyrrolidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 207989-87-5 ]

Related Parent Nucleus of
[ 207989-87-5 ]