[ CAS No. 4474-86-6 ] {[proInfo.proName]}

Name: 4474-86-6|N-Cbz-D-Asparagine|97%
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Quality Control of [ 4474-86-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 4474-86-6 ]

Product Details of [ 4474-86-6 ]

CAS No. :	4474-86-6	MDL No. :	MFCD00065696
Formula :	C₁₂H₁₄N₂O₅	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	FUCKRCGERFLLHP-SECBINFHSA-N
M.W :	266.25	Pubchem ID :	1712147
Synonyms :		Chemical Name :	N-Cbz-D-Asparagine

Calculated chemistry of [ 4474-86-6 ]

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.25
Num. rotatable bonds :	8
Num. H-bond acceptors :	5.0
Num. H-bond donors :	3.0
Molar Refractivity :	64.6
TPSA :	118.72 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.98 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.02
Log Po/w (XLOGP3) :	-0.08
Log Po/w (WLOGP) :	0.09
Log Po/w (MLOGP) :	0.14
Log Po/w (SILICOS-IT) :	-0.08
Consensus Log Po/w :	0.22

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.15
Solubility :	19.0 mg/ml ; 0.0714 mol/l
Class :	Very soluble
Log S (Ali) :	-1.96
Solubility :	2.91 mg/ml ; 0.0109 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.96
Solubility :	2.91 mg/ml ; 0.0109 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.8

Safety of [ 4474-86-6 ]

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 [ 4474-86-6 ]

* 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 [ 4474-86-6 ]
Downstream synthetic route of [ 4474-86-6 ]

[ 4474-86-6 ] Synthesis Path-Upstream 1~7

1
[ 4474-86-6 ]
[ 2712-78-9 ]
[ 62234-37-1 ]

Reference： [1] Patent: US642, 1989, H1,

2
[ 4474-86-6 ]
[ 62234-37-1 ]

Reference： [1] Helvetica Chimica Acta, 1989, vol. 72, # 5, p. 1043 - 1051
[2] Tetrahedron, 2000, vol. 56, # 16, p. 2513 - 2522
[3] Tetrahedron Letters, 2000, vol. 41, # 10, p. 1637 - 1641

3
[ 2058-58-4 ]
[ 501-53-1 ]
[ 4474-86-6 ]

Reference： [1] Journal of Organic Chemistry, 1995, vol. 60, # 21, p. 6654 - 6655
[2] Pharmaceutical Chemistry Journal, 1995, vol. 29, # 1, p. 14 - 17[3] Khimiko-Farmatsevticheskii Zhurnal, 1995, vol. 29, # 1, p. 15 - 18
[4] Tetrahedron, 2000, vol. 56, # 16, p. 2513 - 2522
[5] Tetrahedron Letters, 2000, vol. 41, # 10, p. 1637 - 1641

4
[ 501-53-1 ]
[ 5794-24-1 ]
[ 4474-86-6 ]

Reference： [1] Patent: US642, 1989, H1,

5
[ 29880-22-6 ]
[ 4474-86-6 ]

Reference： [1] Gazzetta Chimica Italiana, 1958, vol. 88, p. 9,12

6
[ 29880-22-6 ]
[ 4474-86-6 ]
[ 2304-96-3 ]

Reference： [1] Chemistry Letters, 1988, p. 1125 - 1128

7
[ 29880-22-6 ]
[ 4474-86-6 ]
[ 2304-96-3 ]

Reference： [1] Chemistry Letters, 1988, p. 1125 - 1128

[ 4474-86-6 ] Synthesis Path-Downstream 1~28

1
[ 4474-86-6 ]
[ 2058-58-4 ]

Reference： [1]Gazzetta Chimica Italiana,1958,vol. 88,p. 9,12

2
[ 29880-22-6 ]
[ 4474-86-6 ]

Reference： [1]Gazzetta Chimica Italiana,1958,vol. 88,p. 9,12

3
[ 4474-86-6 ]
[ 62234-37-1 ]

Reference： [1]Helvetica Chimica Acta,1989,vol. 72,p. 1043 - 1051
[2]Tetrahedron,2000,vol. 56,p. 2513 - 2522
[3]Tetrahedron Letters,2000,vol. 41,p. 1637 - 1641

4
[ 29880-22-6 ]
[ 4474-86-6 ]
[ 2304-96-3 ]

Reference： [1]Chemistry Letters,1988,p. 1125 - 1128

5
[ 4474-86-6 ]
[ 6306-52-1 ]
[ 17460-89-8 ]

Reference： [1]Journal of Medicinal Chemistry,1968,vol. 11,p. 74 - 79

6
[ 4474-86-6 ]
[ 7146-15-8 ]
[ 17460-90-1 ]

Reference： [1]Journal of Medicinal Chemistry,1968,vol. 11,p. 74 - 79

7
[ 4474-86-6 ]
[ 634614-25-8 ]

Yield	Reaction Conditions	Operation in experiment
6.16 g	With bromine; sodium hydroxide; In water; at 55℃; for 3h;Cooling with ice;	Under ice-cooling, to a 1M aqueous solution of sodium hydroxide (124 ml) was added dropwise bromine (6.60 ml), and then after adding <strong>[4474-86-6](R)-2-benzyloxycarbonylaminosuccinamic acid</strong> (10.0 g), the mixture was stirred at 55 C. for 3 hours. This reaction solution was cooled to room temperature, washed twice with diethyl ether, and then a 6M aqueous solution of hydrochloric acid (21 ml) was added thereto. This reaction mixture was left to stand at 4 C. for 3 days, and a precipitated solid was collected by filtration to give the titled compound (6.16 g). 1H-NMR (DMSO-D6) delta: 3.19-3.22 (m, 1H), 3.63 (dd, 1H, J=10.2, 5.0 Hz), 4.67 (dd, 1H, J=10.2, 3.3 Hz), 5.14-5.18 (m, 2H), 7.28-7.40 (m, 5H), 7.56 (s, 1H), 13.24 (br s, 1H).
		To a solution of [NAOH] (2.48 g, 61.97 mmole) in water (50 ml) at [0C] is added bromine (3.305 g, 20.66 mmole). After 5 min, (R)-NCbz- Asparagine is added to the above solution and the mixture is stirred at [50C] for lh. Addition of 5% Na2S203 and then extraction with Et20 [(1X100] [ML).] The aqueous phase is acidified to pH 2 with 6N [HC1] and the reaction mixture is left in the fridge for 6 days. Filtration of the crystals, and recrystalization in hot water to afford (4R)-3- [ (benzyloxy) carbonyl] -2-oxoimidazolidine-4-carboxylic acid as a white powder. 1H NMR (DMSO-D6) [delta] 7.5-7.2 (M, 5H), 6.5 (SL, 1H), 5.28 (S, 2H), 4.88 (M, 1H), 3.88 (M, 1H), 3.5 (M, 1H) ; MS 263.2 (M-1).

Reference： [1]Synthetic Communications,1996,vol. 26,p. 2165 - 2175
[2]Journal of Organic Chemistry,1995,vol. 60,p. 6654 - 6655
[3]Patent: US2013/85132,2013,A1 .Location in patent: Paragraph 0796; 0797; 0798; 0917; 0918; 0919
[4]Patent: WO2003/103664,2003,A1 .Location in patent: Page 28

8
[ 2058-58-4 ]
[ 501-53-1 ]
[ 4474-86-6 ]

Reference： [1]Journal of Organic Chemistry,1995,vol. 60,p. 6654 - 6655
[2]Pharmaceutical Chemistry Journal,1995,vol. 29,p. 14 - 17
Khimiko-Farmatsevticheskii Zhurnal,1995,vol. 29,p. 15 - 18
[3]Tetrahedron,2000,vol. 56,p. 2513 - 2522
[4]Tetrahedron Letters,2000,vol. 41,p. 1637 - 1641

9
[ 4474-86-6 ]
(R)-2-Benzyloxycarbonylamino-3-cyano-propionic acid [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1999,vol. 64,p. 70 - 80

11
[ 4474-86-6 ]
DCC*3pentachlorophenol complex [ No CAS ]
[ 31202-36-5 ]

Reference： [1]Pharmaceutical Chemistry Journal,1995,vol. 29,p. 14 - 17
Khimiko-Farmatsevticheskii Zhurnal,1995,vol. 29,p. 15 - 18

12
[ 4474-86-6 ]
[ 159002-15-0 ]

Reference： [1]Tetrahedron,2000,vol. 56,p. 2513 - 2522

13
[ 4474-86-6 ]
N^α-benzyloxycarbonyl-β-guanidino-D-α-alanine [ No CAS ]

Reference： [1]Tetrahedron,2000,vol. 56,p. 2513 - 2522

14
[ 4474-86-6 ]
N^α-benzyloxycarbonyl-β-(2,2,5,7,8-pentamethylchroman-6-sulfonyl)guanidino-D-α-alanine [ No CAS ]

Reference： [1]Tetrahedron,2000,vol. 56,p. 2513 - 2522

15
[ 4474-86-6 ]
DCC*3pentachlorophenol complex [ No CAS ]
[ 219911-36-1 ]

Reference： [1]Journal of Organic Chemistry,1999,vol. 64,p. 70 - 80

16
[ 4474-86-6 ]
[ 172533-95-8 ]

Reference： [1]Pharmaceutical Chemistry Journal,1995,vol. 29,p. 14 - 17
Khimiko-Farmatsevticheskii Zhurnal,1995,vol. 29,p. 15 - 18

17
[ 4474-86-6 ]
3-amino-N-<(benzyloxy)carbonyl>-D-alanine methyl ester hydrochloride [ No CAS ]

Reference： [1]Helvetica Chimica Acta,1989,vol. 72,p. 1043 - 1051

18
[ 4474-86-6 ]
(3R)-3-(N-Cbz-amino)azolane-2,5-dione [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide;	Intermediate 7; (3R)-3-(N-Cbz-amino)azolane-2,5-dioneCyclisation of N(alpha)-Cbz-D-asparagine (10 g, 37.5 mmol) in the presence of DCC(7.8 g, 37.5 mmol) and N-hydroxysuccinimide (4.4 g, 37.5 mmol) in DMF (50 ml) as described above gave 4.2 g of the product as white solid, mp 66-69 C; 1H NMR (300 MHz, CDC13) delta 6 2.80-2.89 (m, 1 H), 3.04-3.12 (m, 1 H), 4.33-10 4.41 (m, 1 H), 5.11 (s, 2 H), 4.61 (brs, 1 H), 7.34 (s, 5 H), 8.55 (brs, 1 H).

Reference： [1]Patent: WO2004/22536,2004,A1 .Location in patent: Page 39

19
[ 501-53-1 ]
[ 5794-24-1 ]
[ 4474-86-6 ]

Yield	Reaction Conditions	Operation in experiment
	In tetrahydrofuran; sodium hydrogencarbonate; ethyl acetate;	(a) (R)-4-Amino-2-[[(benzyloxy)carbonyl]amino]-4-oxobutanoic acid A solution of benzyl chloroformate (58.32 ml., 0.41 mole) in tetrahydrofuran (50 ml.) is added dropwise to a solution of D(-)asparagine hydrate (50 g., 0.33 mole) dissolved in 1 l. of saturated sodium bicarbonate. The solution is allowed to stir at room temperature for 6 hours and then extracted with ethyl acetate (3*200 ml.). The aqueous layer is concentrated in vacuo to remove traces of ethyl acetate, then acidified to pH of 3. A white precipitate is collected and subsequently washed with water and then dried over phosphorus pentoxide to give 74 g. of (R)-4-amino-2-[[(benzyloxy)carbonyl]amino]-4-oxobutanoic acid, m.p. 206-210.

Reference： [1]Patent: US642,1989,H1

20
[ 4474-86-6 ]
[ 352665-38-4 ]

Reference： [1]Patent: US2013/85132,2013,A1

21
[ 4474-86-6 ]
C₂₀H₄₀N₄O₇ [ No CAS ]
C₃₂H₅₂N₆O₁₁ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
2.5 g	With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 0 - 20℃; for 48h;	Step 3f: To a stirred solution of <strong>[4474-86-6]Cbz-D-Asn-OH</strong> (1.78 g, 6.7 mmol) and compound 3g (3.0 g, 6.8 mmol) in DMF (75 mL), DCC (4.12 g, 20.3 mmol) and HOBT (1.8 g, 13.5 mmol) were added slowly at 0 C. The reaction mixture was stirred for 48 h at room temperature. Progress of reaction was monitored by TLC. After completion, the reaction mass was partitioned between ethyl acetate and water. Organic layer was washed with water, brine, dried over Na2SO4 and evaporated under reduced pressure to yield crude. The crude compound was purified by silica gel (60-120 mesh) column chromatography (Eluent: 4% MeOH in DCM) to yield 2.5 g of Compound 3h, LCMS: 697.50 (M+H)+.
2.5 g	With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 0 - 20℃; for 48h;	To a stirred solution of <strong>[4474-86-6]Cbz-D-Asn-OH</strong> (1.78 g, 6.7 mmol) and compound 3g (3.0 g, 6.8 mmol) in DMF (75 mL), DCC (4.12 g, 20.3 mmol) and HOBT (1.8 g, 13.5 mmol) were added slowly at 0 C. The reaction mixture was stirred for 48 h at room temperature.Progress of reaction was monitored by TLC. After completion, the reaction mass was partitioned between ethyl acetate and water. Organic layer was washed with water, brine,dried over Na2SO4 and evaporated under reduced pressure to yield crude. The crude compound was purified by silica gel (60-120 mesh) column chromatography (Eluent: 4% MeOH in DCM) to yield 2.5 g of Compound 3h, LCMS: 697.50 (M+H).

Reference： [1]Patent: US2015/73042,2015,A1 .Location in patent: Paragraph 0150; 0156
[2]Patent: WO2015/33303,2015,A1 .Location in patent: Page/Page column 28; 29

22
[ 4474-86-6 ]
[ 77999-24-7 ]

Reference： [1]Patent: CN104387376,2017,B

23
[ 4474-86-6 ]
[ 59760-01-9 ]

Yield	Reaction Conditions	Operation in experiment
39.4%	With bromine; sodium hydroxide; In water; at 55℃; for 3h;	Sodium hydroxide (4.51 g, 113 mmol) was dissolved in distilled water (200 mL) and bromine (2.21 g, 0.708 mL,((Benzyloxy) carbonyl) amino) -4-oxobutanoic acid (10.0 g, 37.6 mmol).The resulting reaction was heated to 55 C and stirred for 3 hours.The reaction mixture was then cooled to room temperature and extracted with ethyl acetate (2x50 mL). The separated aqueous phase was adjusted to pH = 1 with 6 M hydrochloric acid. At this point a white solid precipitated and was transferred to a refrigerator and stored overnight at 4 C.Filtration afforded the title compound as a white solid (3.91 g, 39.4%).

Reference： [1]Patent: CN104387376,2017,B .Location in patent: Paragraph 0261; 0263; 0264

24
[ 4474-86-6 ]
tert-butyl (2-((2S,5R,8S,11S,14S,17S,22S)-22-((S)-2-amino-4-((tert-butoxycarbonyl)amino)butanamido)-5-benzyl-11,14-bis(2-((tert-butoxycarbonyl)amino)ethyl)-17-((R)-1-hydroxyethyl)-8-isobutyl-3,6,9,12,15,18,23-heptaoxo1,4,7,10,13,16,19-heptaazacyclotricosan-2-yl)ethyl)carbamate [ No CAS ]
C₆₂H₉₅N₁₃O₁₈ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		A solution of Z-D-Asn-OH (87.9 mg, 0.33 mmol) and HOBT hydrate (70.7 mg, 0.463 mmol) in anhydrous DMF (1 mL) was cooled in an ice-water bath. EDC-HCI (76.8 mg, 0.4 mmol) was added, and the resulting mixture was stirred for 15 minutes. It was then added with a solution of INT-1 1 (319 mg, 0.3 mmol) in anhydrous DMF (1 mL) and DIPEA (130 mg, 1 mmol). After the reaction mixture was stirred for 1 hour, it was directly purified through C18 RPLC (50 g, 10 to 90 % MeOH and water). The collected fractions were concentrated by rotary evaporation to a white solid (LCMS: [(M - 2Boc + 2H)/2]+ = 555). The material was re-dissolved in MeOH (~ 15 mL), and the solution was added with Pd/C. The resulting mixture was stirred under hydrogen for 4 hours. Pd/C was filtered off, and the filtrate was concentrated by rotary evaporation to dryness. Yield 1 85.2 mg, 52.5 %. Ion found by LCMS: [(M - Boc + 2H)/2]+ = 538.

Reference： [1]Patent: WO2018/6063,2018,A1 .Location in patent: Page/Page column 358-359

25
[ 4474-86-6 ]
(R)-3-(acetylamino)-2-[[(benzyloxy)carbonyl]amino]propanoic acid [ No CAS ]

Reference： [1]Patent: US642,1989,H1

26
[ 4474-86-6 ]
(R)-3-amino-2-[[(benzoyloxy)carbonyl]amino]propanoic acid [ No CAS ]
[ 62234-37-1 ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine; bis-[(trifluoroacetoxy)iodo]benzene; In water; N,N-dimethyl-formamide;	(b) (R)-3-Amino-2-[[(benzyloxy)carbonyl]amino]propanoic acid [Bis(trifluoroacetoxy)iodo]benzene (6.45 g., 15.0 mmole) is dissolved in water-dimethylformamide 1:1 (80 ml.) and (R)-4-amino-2-[[(benzyloxy)carbonyl]amino]-4-oxobutanoic acid (2.4 g., 9.0 mmole) is added over a 10 minute period. The reaction is allowed to stir at room temperature for 30 minutes, until dissolution occurs. Pyridine (1.62 ml., 20 mmole) is added dropwise over a 5 minute period. The reaction is allowed to stir for 3 hours then stripped of solvent to yield a yellow precipitate. This semi-solid is triturated with a combination of isopropanol:ethyl ether. The precipitate is filtered and dried over phosphorus pentoxide to yield 1.35 g. of (R)-3-amino-2-[[(benzoyloxy)carbonyl]amino]propanoic acid as a white solid.

Reference： [1]Patent: US642,1989,H1

27
[ 14464-29-0 ]
[ 4474-86-6 ]
[ 26117-27-1 ]

Yield	Reaction Conditions	Operation in experiment
		N2-Acetyl-D-asparagine The title compound was prepared by conventional methods of peptide chemistry, at first by esterification of N2-[(benzyloxy)carbonyl]-D-asparagine with (2-trimethylsilyl)ethanol with EDCI/DMAP in DCM, followed by hydrogenolytic detachment of the benzyl ester over 10percent palladium/activated carbon in DCM/methanol 1:1, then by reaction with 1-acetoxypyrrolidine-2,5-dione in the presence of N,N-diisopropylethylamine and finally by detachment of the Teoc protecting group by stirring at 50° C. with 6 equivalents of zinc chloride in trifluoroethanol for 1 h. LC-MS (Method 1): Rt=0.15 min; MS (ESIneg): m/z=173 (M-H)-.

Reference： [1]Patent: US2019/77752,2019,A1 .Location in patent: Paragraph 2296-2298

28
[ 4474-86-6 ]
N-acetyl-D-asparaginyl-N¹-{(2S)-4-[{(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)-1H-pyrrol-2-yl]-2,2-dimethylpropyl}(glycoloyl)amino]-1-[(2-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetyl]-amino} ethyl)amino]-1-oxobutan-2-yl}-L-aspartamide [ No CAS ]

Reference： [1]Patent: US2019/77752,2019,A1

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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. 4474-86-6 ] {[proInfo.proName]}

Quality Control of [ 4474-86-6 ]

Related Doc. of [ 4474-86-6 ]

Product Details of [ 4474-86-6 ]

Calculated chemistry of [ 4474-86-6 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 4474-86-6 ]

Application In Synthesis of [ 4474-86-6 ]

[ 4474-86-6 ] Synthesis Path-Upstream 1~7

[ 4474-86-6 ] Synthesis Path-Downstream 1~28

Related Functional Groups of [ 4474-86-6 ]

Amino Acid Derivatives

Precautionary Statements-General

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Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 4474-86-6 ]