化工社化工社化学情報印刷レポート · 研究参考用

HCID 19262作成日：2026年10月27日

m-キシリレンジイソシアナート

m-キシリレンジイソシアナート · m-キシレンジイソシアナート · (m-フェニレンビスメチレン)ジイソシアナート · (1,3-フェニレンビスメチレン)ジイソシアナート · 1,3-フェニレンビスメチレンジイソシアナート · 1,3-フェニレンビス(メチレン)ジイソシアナート · m-フェニレンビスメチレンジイソシアナート · (1,3-フェニレン)ビスメチレンビスイソシアナート

https://huagongshe.com/ja/chemical/19262

識別子と物理属性

CAS No.	26471-62-5
分子式	C10H8N2O2
平均分子量	188.18 g/mol
単同位体質量	188.0585775 g/mol
SMILES	O=C=NCc1cccc(CN=C=O)c1
InChIKey	RTTZISZSHSCFRH-UHFFFAOYSA-N
PubChem CID	19262
EC No.	222-852-4
DTXSID	DTXSID5038919
現地名	m-キシリレンジイソシアナート

化学・物理的性質

XLogP	3.4
極性表面積	58.9
水素結合供与体数	0
水素結合受容体数	4
回転可能結合数	4
重原子数	14
形式電荷	0
複雑度	239
Physical Description	LiquidOther Solid
融点	-7°C
沸点	88-90 °C/0.02 mmHg (lit.)
密度	1.202 g/mL at 20 °C (lit.)
蒸気圧	0.021Pa at 20℃
屈折率	n20/D 1.451
引火点	42°C
貯蔵条件	2-8°C
溶解度	Chloroform (Sparingly), Methanol (Slightly)
外観・状態	clear liquid
色	Colorless to Light yellow
BRN	781825
安定性	Hygroscopic, Moisture sensitive
InChI	1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2
InChIKey	RTTZISZSHSCFRH-UHFFFAOYSA-N
SMILES	O=C=NCc1cccc(CN=C=O)c1
LogP（分配係数）	3.215 (est)
CAS データベース	3634-83-1(CAS DataBase Reference)
EPAの化学物質情報	1,3-Bis(isocyanatomethyl)benzene (3634-83-1)

安全性と法規制

GHS 分類	DangerH226 (35%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P320, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 214 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H315: Causes skin irritation [Warning Skin corrosion/irritation]
規制情報	Chemical: Benzene, 1,3-diisocyanatomethyl-Hazard Traits - Respiratory ToxicityRegulation (EC) No 1935/2004 (amended)Benzene, 1,3-diisocyanatomethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3-diisocyanatomethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.SP - indicates a substance that is identified in a proposed Significant New Use Rule.
その他の安全情報	IMAP assessments - Benzene, 1,3-diisocyanatomethyl-: Environment tier I assessment
Hazard Classes and Categories	Flam. Liq. 3 (35%)Acute toxicity (Inhalation: Dusts and mists) - Category 2
F	8-10-19-21
水環境危害等級（WGK）	2
TSCA 収載状態	TSCA listed
RTECS 番号	NR0147000
輸送番号（UN）	UN 2920 8/PG 2
毒性	mouse,LD50,oral,840mg/kg (840mg/kg),Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 39, Pg. 202, 1980.
税関コード	29291090

m-キシリレンジイソシアナート

CAS No.

26471-62-5

分子式

C10H8N2O2

平均分子量

188.18 g/mol

単同位体質量

188.0585775 g/mol

SMILES

O=C=NCc1cccc(CN=C=O)c1

InChIKey

RTTZISZSHSCFRH-UHFFFAOYSA-N

PubChem CID

19262

EC No.

222-852-4

DTXSID

DTXSID5038919

現地名

m-キシリレンジイソシアナート

化学・物理的性質

XLogP

3.4

極性表面積

58.9

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

239

Physical Description

LiquidOther Solid

融点

-7°C

沸点

88-90 °C/0.02 mmHg (lit.)

密度

1.202 g/mL at 20 °C (lit.)

蒸気圧

0.021Pa at 20℃

屈折率

n20/D 1.451

引火点

42°C

貯蔵条件

2-8°C

溶解度

Chloroform (Sparingly), Methanol (Slightly)

外観・状態

clear liquid

色

Colorless to Light yellow

BRN

781825

安定性

Hygroscopic, Moisture sensitive

InChI

1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2

InChIKey

RTTZISZSHSCFRH-UHFFFAOYSA-N

SMILES

O=C=NCc1cccc(CN=C=O)c1

LogP（分配係数）

3.215 (est)

CAS データベース

3634-83-1(CAS DataBase Reference)

EPAの化学物質情報

1,3-Bis(isocyanatomethyl)benzene (3634-83-1)

安全性と法規制

GHS 分類

DangerH226 (35%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P320, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 214 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H315: Causes skin irritation [Warning Skin corrosion/irritation]

規制情報

Chemical: Benzene, 1,3-diisocyanatomethyl-Hazard Traits - Respiratory ToxicityRegulation (EC) No 1935/2004 (amended)Benzene, 1,3-diisocyanatomethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3-diisocyanatomethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.SP - indicates a substance that is identified in a proposed Significant New Use Rule.

その他の安全情報

IMAP assessments - Benzene, 1,3-diisocyanatomethyl-: Environment tier I assessment

Hazard Classes and Categories

Flam. Liq. 3 (35%)Acute toxicity (Inhalation: Dusts and mists) - Category 2

8-10-19-21

水環境危害等級（WGK）

TSCA 収載状態

TSCA listed

RTECS 番号

NR0147000

輸送番号（UN）

UN 2920 8/PG 2

毒性

mouse,LD50,oral,840mg/kg (840mg/kg),Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 39, Pg. 202, 1980.

税関コード

29291090