1,1'-Biphenyl,4,4'-diisocyanato-3,3'-dimethoxy

Modify Date: 2026-07-20 16:58:45

1,1'-Biphenyl,4,4'-diisocyanato-3,3'-dimethoxy structure	Common Name	1,1'-Biphenyl,4,4'-diisocyanato-3,3'-dimethoxy
	CAS Number	91-93-0	Molecular Weight	296.27700
	Density	1.19g/cm3	Boiling Point	442.5ºC at 760 mmHg
	Molecular Formula	C₁₆H₁₂N₂O₄	Melting Point	112-116ºC(lit.)
	MSDS	N/A	Flash Point	170 °F

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.19g/cm3
Boiling Point	442.5ºC at 760 mmHg
Melting Point	112-116ºC(lit.)
Molecular Formula	C₁₆H₁₂N₂O₄
Molecular Weight	296.27700
Flash Point	170 °F
Exact Mass	296.08000
PSA	77.32000
LogP	3.30540
Index of Refraction	1.569
InChIKey	QZWKEPYTBWZJJA-UHFFFAOYSA-N
SMILES	COc1cc(-c2ccc(N=C=O)c(OC)c2)ccc1N=C=O

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NQ8800000

CHEMICAL NAME :: Isocyanic acid, 3,3'-dimethoxy-4,4'-biphenylene ester

CAS REGISTRY NUMBER :: 91-93-0

BEILSTEIN REFERENCE NO. :: 0928196

LAST UPDATED :: 199710

DATA ITEMS CITED :: 12

MOLECULAR FORMULA :: C16-H12-N2-O4

MOLECULAR WEIGHT :: 296.30

WISWESSER LINE NOTATION :: OCNR BO1 DR CO1 DNCO

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 565 gm/kg/78W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia Skin and Appendages - tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1200 gm/kg/78W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia Skin and Appendages - tumors

MUTATION DATA

TYPE OF TEST :: Morphological transformation

TEST SYSTEM :: Rodent - rat Embryo

DOSE/DURATION :: 81 ug/plate

REFERENCE :: JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 1,190,1981 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 39,279,1986 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 39,279,1986 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2937 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 227 (estimated)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes	T
Risk Phrases	R23/24/25
Safety Phrases	S26;S36;S45
RIDADR	UN 2811 6.1/PG 2

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

phosgene

CAS#:75-44-5

3,3'-Dimethoxyb...

CAS#:119-90-4

~87%

1,1'-Biphenyl,4...

CAS#:91-93-0

Learn More

Literature: Hogarth, Graeme; Humphrey, David G.; Kaltsoyannis, Nikolas; Kim, Woo-Sung; Lee, Mo-Yin; Norman, Tim; Redmond, Simon P. Journal of the Chemical Society - Dalton Transactions, 1999 , # 16 p. 2705 - 2723

phosgene

CAS#:75-44-5

3,3'-Dimethoxyb...

CAS#:20325-40-0

1,1'-Biphenyl,4...

CAS#:91-93-0

Learn More

Literature: Justus Liebigs Annalen der Chemie, , vol. 562, p. 75,1114

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 3
CAS#:75-44-5 phosgene CAS#:119-90-4 3,3'-Dimethoxyb... CAS#:20325-40-0 3,3'-Dimethoxyb...
DownStream 2
CAS#:3259-67-4 1-Aziridinecarb... CAS#:83310-76-3 N,N'-Diacetyldi...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898

Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01

Name: Adrenergic beta2 receptor (ADRB2) small molecule agonists, cell-based qHTS assay
Source: 824
External Id: ADRB2293

Total 212, Current Page 1 of 22

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

3,3'-dimethoxy-4,4'-biphenylenediisocyanate

3,3'-Dimethoxy-biphenyl-4,4'-diyldiisocyanate

3,3'-dimethoxybiphenyl-4,4'-diisocyanate

MFCD00013847

Dianisidine diisocyanate

4,4'-diisocyanato-3,3'-dimethoxybiphenyl

3,3'-DIMETHOXYBENZIDINE-4,4'-DIISOCYANATE

3,3'-dimethoxy-biphenyl-4,4'-diyl diisocyanate

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the LogP of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene?

A: LogP of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene is 3.30540.

Q: What is the CAS number of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene?

A: CAS number of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene is 91-93-0.

Q: What is the polar surface area (PSA) of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene?

A: Polar surface area (PSA) of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene is 77.32000.

Q: What are the downstream products of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene?

A: Related downstream products(CAS) of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene: 3259-67-4;83310-76-3.

Q: What is the boiling point of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene?

A: Boiling point of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene is 442.5ºC at 760 mmHg.

Q: What English synonyms does 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene have?

A: English synonyms of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene: 3,3'-dimethoxy-4,4'-biphenylenediisocyanate, 3,3'-Dimethoxy-biphenyl-4,4'-diyldiisocyanate, 3,3'-dimethoxybiphenyl-4,4'-diisocyanate, MFCD00013847, Dianisidine diisocyanate, 4,4'-diisocyanato-3,3'-dimethoxybiphenyl, 3,3'-DIMETHOXYBENZIDINE-4,4'-DIISOCYANATE, 3,3'-dimethoxy-biphenyl-4,4'-diyl diisocyanate.

Q: What is the molecular weight of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene?

A: Molecular weight of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene is 296.27700.

Q: What are the upstream materials of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene?

A: Related upstream materials(CAS) of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene: 75-44-5;119-90-4;20325-40-0.

Q: What is the safety information for 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene?

A: Safety information for 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene: S26;S36;S45.

Q: What is the SMILES notation of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene?

A: SMILES notation of 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene is COc1cc(-c2ccc(N=C=O)c(OC)c2)ccc1N=C=O.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Dayang Chem (Hangzhou) Co., Ltd.

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Product Name: 1,1'-Biphenyl,4,4'-diisocyanato-3,3'-dimethoxy-
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Purity: 98.0%
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1,1'-Biphenyl,4,4'-diisocyanato-3,3'-dimethoxy

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MSDS

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